创建日期
2005-11-16 15:48:42 UTC
更新日期
2021-09-16 15:27:05 UTC
名称
myo-Inositol 1-phosphate
描述
myo-Inositol 1-phosphate, also known as I1P or ins(1)p, belongs to the class of organic compounds known as inositol phosphates. Inositol phosphates are compounds containing a phosphate group attached to an inositol (or cyclohexanehexol) moiety. myo-Inositol 1-phosphate is a metabolite of inositol phosphate metabolism and the phosphatidylinositol signalling system. Inositol phosphatases (EC:3.1.3.25) play a crucial role in the phosphatidylinositol signalling pathway. Expression is substantially higher in the subcortical regions of the brain, most prominently in the caudate. The phosphatidylinositol pathway is thought to be modified by lithium, a commonly prescribed medication in treating bipolar disorder (OMIM: 605922).
同义词
1:1D-Myo-inositol 1-monophosphate
2:D-Myo-inositol 1-phosphate
3:I1P
4:Inositol 1-phosphate
5:Ins(1)p
6:Ins1p
7:Myoinositol 1-phosphate
8:Myo-inositol 1-phosphate
9:1D-Myo-inositol 1-monophosphoric acid
10:D-Myo-inositol 1-phosphoric acid
11:Inositol 1-phosphoric acid
12:Myoinositol 1-phosphoric acid
13:Myo-inositol 1-phosphoric acid
14:1D-Myo-inositol 1-phosphoric acid
15:1-(Dihydrogen phosphate) myo-inositol
16:1D-myo-Inositol 1-phosphate
17:D-myo-Inositol-1-monophosphate
18:IPhC
19:Inositol monophosphate
20:Inositol phosphate
21:Inositophosphoric acid
22:myo-Inositol 1-monophosphate
23:myo-Inositol-1-phosphate
化学名称
{[(1S,2R,3R,4S,5S,6R)-2,3,4,5,6-pentahydroxycyclohexyl]oxy}phosphonic acid
传统名称
inositol 1-phosphate
代谢物结构字符串
O[C@H]1[C@H](O)[C@@H](O)[C@H](OP(O)(O)=O)[C@H](O)[C@@H]1O
inchi标识符
InChI=1S/C6H13O9P/c7-1-2(8)4(10)6(5(11)3(1)9)15-16(12,13)14/h1-11H,(H2,12,13,14)/t1-,2-,3+,4-,5-,6-/m1/s1
印记键
INAPMGSXUVUWAF-UOTPTPDRSA-N
分类学
description: belongs to the class of organic compounds known as inositol phosphates. Inositol phosphates are compounds containing a phosphate group attached to an inositol (or cyclohexanehexol) moiety.
description:Inositol phosphates
kingdom:Organic compounds
super_class:Organic oxygen compounds
class:Organooxygen compounds
sub_class:Alcohols and polyols
molecular_framework:Aliphatic homomonocyclic compounds
1:Cyclohexanols
2:Hydrocarbon derivatives
3:Monoalkyl phosphates
4:Organic oxides
5:Polyols
6:Aliphatic homomonocyclic compound
7:Alkyl phosphate
8:Cyclohexanol
9:Hydrocarbon derivative
10:Inositol phosphate
11:Monoalkyl phosphate
12:Organic oxide
13:Organic phosphoric acid derivative
14:Phosphoric acid ester
15:Polyol
16:Secondary alcohol
17:myo-inositol monophosphate
本体论
term:Disposition
definition:A concept that describes the origin of a chemical, its location within an organism, or its route of exposure.
parent_id:
level:1
type:parent
term:Biological location
definition:The physiological origin within an organism, including anatomical compnents, biofluids and excreta.
parent_id:7724
*level:2
type:parent
term:Tissue and substructures
definition:An anatomical organizational level including multiple cells yet not comprising a complete organ .
parent_id:7725
**level:3
type:parent
term:Placenta
definition:An organ present in some vertebrates during embryonic gestation that surrounds the fetus and provides it with nutrients and oxygen, facilitates gas and waste exchange between the fetus and mother, and provides parasitic cloaking from the mother's immune system by excretion of neurokinin b. (nci).
parent_id:7729
***level:4
type:child
term:Biofluid and excreta
definition:A liquid, semi-solid or solid material originating in the body.
parent_id:7725
**level:3
type:parent
term:Feces
definition:The material discharged from the bowel during defecation. It consists of undigested food, intestinal mucus, epithelial cells, and bacteria.
parent_id:7731
***level:4
type:child
synonym:Fecal
synonym:Stool
synonym:Faecal
synonym:Faeces
term:Saliva
definition:The watery fluid in the mouth made by the salivary glands. saliva moistens food to help digestion and it helps protect the mouth against infections. (nci).
parent_id:7731
***level:4
type:child
term:Source
definition:Natural or synthetic origin of a chemical.
parent_id:7724
*level:2
type:parent
term:Endogenous
definition:
parent_id:7735
**level:3
type:child
term:Process
definition:Biological or chemical events, or a series thereof, leading to a known function or end-product.
parent_id:
level:1
type:parent
term:Naturally occurring process
definition:Naturally-occurring molecular events or a series thereof, leading to a known function or end-product.
parent_id:7659
*level:2
type:parent
term:Biological process
definition:Biological or chemical events or a series thereof, leading to a known function or end-product within an organism.
parent_id:7660
**level:3
type:parent
term:Biochemical pathway
definition:A linked series of chemical reactions that occur in a defined order within or between organism cells, and lead to a known function or end product.
parent_id:7661
***level:4
type:parent
term:Role
definition:The purpose or function assumed by a chemical, either naturally or as intended by humans .
parent_id:
level:1
type:parent
term:Biological role
definition:The biological function of a chemical. the biological role answers the question how a chemical is involved in molecular processes in an organism. this can include biochemical effects of non-endogenous chemicals, which are also assigned an industrial application such as pharmaceuticals. the biological role is limited to cellular levls, and will not include role at system process level, such as a chemical which has a role in a disease.
parent_id:7671
*level:2
type:parent
term:Molecular messenger
definition: a chemical substance that is involved in transmission of biochemical signals.
parent_id:7672
**level:3
type:parent
term:Second messenger
definition:A chemical substance that transmit signals from a receptor to a target within a living cell.
parent_id:7677
***level:4
type:child
synonym:Secondary messenger
实验性质
1:
kind:water_solubility
value:333.0 mg/mL
source:
2:
kind:melting_point
value:195 °C
source:
预测性质
1:
kind:logp
value:-1.98
source:ALOGPS
2:
kind:logs
value:-0.82
source:ALOGPS
3:
kind:solubility
value:39.5 g/L
source:ALOGPS
4:
kind:logp
value:-3.9
source:ChemAxon
5:
kind:pka_strongest_acidic
value:1.16
source:ChemAxon
6:
kind:pka_strongest_basic
value:-3.6
source:ChemAxon
7:
kind:iupac
value:{[(1S,2R,3R,4S,5S,6R)-2,3,4,5,6-pentahydroxycyclohexyl]oxy}phosphonic acid
source:ChemAxon
8:
kind:average_mass
value:260.135
source:ChemAxon
9:
kind:mono_mass
value:260.029718997
source:ChemAxon
10:
kind:smiles
value:O[C@H]1[C@H](O)[C@@H](O)[C@H](OP(O)(O)=O)[C@H](O)[C@@H]1O
source:ChemAxon
11:
kind:formula
value:C6H13O9P
source:ChemAxon
12:
kind:inchi
value:InChI=1S/C6H13O9P/c7-1-2(8)4(10)6(5(11)3(1)9)15-16(12,13)14/h1-11H,(H2,12,13,14)/t1-,2-,3+,4-,5-,6-/m1/s1
source:ChemAxon
13:
kind:inchikey
value:INAPMGSXUVUWAF-UOTPTPDRSA-N
source:ChemAxon
14:
kind:polar_surface_area
value:167.91
source:ChemAxon
15:
kind:refractivity
value:46.65
source:ChemAxon
16:
kind:polarizability
value:20.71
source:ChemAxon
17:
kind:rotatable_bond_count
value:2
source:ChemAxon
18:
kind:acceptor_count
value:8
source:ChemAxon
19:
kind:donor_count
value:7
source:ChemAxon
20:
kind:physiological_charge
value:-2
source:ChemAxon
21:
kind:formal_charge
value:0
source:ChemAxon
22:
kind:number_of_rings
value:1
source:ChemAxon
23:
kind:bioavailability
value:Yes
source:ChemAxon
24:
kind:rule_of_five
value:No
source:ChemAxon
25:
kind:ghose_filter
value:No
source:ChemAxon
26:
kind:veber_rule
value:No
source:ChemAxon
27:
kind:mddr_like_rule
value:No
source:ChemAxon
生物学性质
1:
2:
biospecimen:(1):Feces
biospecimen:(2):Saliva
3:
tissue:(1):Placenta
4:
[1]:
name:Inositol phosphate metabolism
smpdb_id:
kegg_map_id:map00562
[2]:
name:Inositol Phosphate Metabolism
smpdb_id:SMP00462
kegg_map_id:map00562
正常浓度
1:
biospecimen:Feces
concentration_value:
concentration_units:
subject_age:Adult (>18 years old)
subject_sex:Both
subject_condition:Normal
2:
biospecimen:Saliva
concentration_value:
concentration_units:
subject_age:Adult (>18 years old)
subject_sex:Male
subject_condition:Normal
3:
biospecimen:Saliva
concentration_value:
concentration_units:
subject_age:Adult (>18 years old)
subject_sex:Male
subject_condition:Normal
4:
biospecimen:Saliva
concentration_value:
concentration_units:
subject_age:Adult (>18 years old)
subject_sex:Male
subject_condition:Normal
5:
biospecimen:Saliva
concentration_value:
concentration_units:
subject_age:Adult (>18 years old)
subject_sex:Male
subject_condition:Normal
6:
biospecimen:Saliva
concentration_value:
concentration_units:
subject_age:Adult (>18 years old)
subject_sex:Male
subject_condition:Normal
7:
biospecimen:Saliva
concentration_value:
concentration_units:
subject_age:Adult (>18 years old)
subject_sex:Male
subject_condition:Normal
8:
biospecimen:Saliva
concentration_value:
concentration_units:
subject_age:Adult (>18 years old)
subject_sex:Male
subject_condition:Normal
9:
biospecimen:Saliva
concentration_value:
concentration_units:
subject_age:Adult (>18 years old)
subject_sex:Male
subject_condition:Normal
10:
biospecimen:Saliva
concentration_value:
concentration_units:
subject_age:Adult (>18 years old)
subject_sex:Male
subject_condition:Normal
11:
biospecimen:Saliva
concentration_value:
concentration_units:
subject_age:Adult (>18 years old)
subject_sex:Male
subject_condition:Normal
异常浓度
1:
biospecimen:Feces
concentration_value:
concentration_units:
patient_age:Adult (>18 years old)
patient_sex:Both
patient_information:Colorectal Cancer
2:
biospecimen:Feces
concentration_value:
concentration_units:
patient_age:Adult (>18 years old)
patient_sex:Both
patient_information:Colorectal cancer
3:
biospecimen:Feces
concentration_value:
concentration_units:
patient_age:Adult (>18 years old)
patient_sex:Both
patient_information:Colorectal cancer
疾病参考
1:
name:Colorectal cancer
omim_id:114500
[1]:
reference_text:Ishiwata S, Itoh K, Yamaguchi T, Ishida N, Mizugaki M: Comparison of serum and urinary levels of modified nucleoside, 1-methyladenosine, in cancer patients using a monoclonal antibody-based inhibition ELISA. Tohoku J Exp Med. 1995 May;176(1):61-8.
pubmed_id:7482520
[2]:
reference_text:Cheng Y, Xie G, Chen T, Qiu Y, Zou X, Zheng M, Tan B, Feng B, Dong T, He P, Zhao L, Zhao A, Xu LX, Zhang Y, Jia W: Distinct urinary metabolic profile of human colorectal cancer. J Proteome Res. 2012 Feb 3;11(2):1354-63. doi: 10.1021/pr201001a. Epub 2011 Dec 28.
pubmed_id:22148915
[3]:
reference_text:Monleon D, Morales JM, Barrasa A, Lopez JA, Vazquez C, Celda B: Metabolite profiling of fecal water extracts from human colorectal cancer. NMR Biomed. 2009 Apr;22(3):342-8. doi: 10.1002/nbm.1345.
pubmed_id:19006102
[4]:
reference_text:Weir TL, Manter DK, Sheflin AM, Barnett BA, Heuberger AL, Ryan EP: Stool microbiome and metabolome differences between colorectal cancer patients and healthy adults. PLoS One. 2013 Aug 6;8(8):e70803. doi: 10.1371/journal.pone.0070803. Print 2013.
pubmed_id:23940645
[5]:
reference_text:Phua LC, Chue XP, Koh PK, Cheah PY, Ho HK, Chan EC: Non-invasive fecal metabonomic detection of colorectal cancer. Cancer Biol Ther. 2014 Apr;15(4):389-97. doi: 10.4161/cbt.27625. Epub 2014 Jan 14.
pubmed_id:24424155
[6]:
reference_text:Ritchie SA, Ahiahonu PW, Jayasinghe D, Heath D, Liu J, Lu Y, Jin W, Kavianpour A, Yamazaki Y, Khan AM, Hossain M, Su-Myat KK, Wood PL, Krenitsky K, Takemasa I, Miyake M, Sekimoto M, Monden M, Matsubara H, Nomura F, Goodenowe DB: Reduced levels of hydroxylated, polyunsaturated ultra long-chain fatty acids in the serum of colorectal cancer patients: implications for early screening and detection. BMC Med. 2010 Feb 15;8:13. doi: 10.1186/1741-7015-8-13.
pubmed_id:20156336
[7]:
reference_text:Qiu Y, Cai G, Su M, Chen T, Zheng X, Xu Y, Ni Y, Zhao A, Xu LX, Cai S, Jia W: Serum metabolite profiling of human colorectal cancer using GC-TOFMS and UPLC-QTOFMS. J Proteome Res. 2009 Oct;8(10):4844-50. doi: 10.1021/pr9004162.
pubmed_id:19678709
[8]:
reference_text:Ni Y, Xie G, Jia W: Metabonomics of human colorectal cancer: new approaches for early diagnosis and biomarker discovery. J Proteome Res. 2014 Sep 5;13(9):3857-70. doi: 10.1021/pr500443c. Epub 2014 Aug 14.
pubmed_id:25105552
[9]:
reference_text:Ikeda A, Nishiumi S, Shinohara M, Yoshie T, Hatano N, Okuno T, Bamba T, Fukusaki E, Takenawa T, Azuma T, Yoshida M: Serum metabolomics as a novel diagnostic approach for gastrointestinal cancer. Biomed Chromatogr. 2012 May;26(5):548-58. doi: 10.1002/bmc.1671. Epub 2011 Jul 20.
pubmed_id:21773981
[10]:
reference_text:Goedert JJ, Sampson JN, Moore SC, Xiao Q, Xiong X, Hayes RB, Ahn J, Shi J, Sinha R: Fecal metabolomics: assay performance and association with colorectal cancer. Carcinogenesis. 2014 Sep;35(9):2089-96. doi: 10.1093/carcin/bgu131. Epub 2014 Jul 18.
pubmed_id:25037050
[11]:
reference_text:Sinha R, Ahn J, Sampson JN, Shi J, Yu G, Xiong X, Hayes RB, Goedert JJ: Fecal Microbiota, Fecal Metabolome, and Colorectal Cancer Interrelations. PLoS One. 2016 Mar 25;11(3):e0152126. doi: 10.1371/journal.pone.0152126. eCollection 2016.
pubmed_id:27015276
[12]:
reference_text:Lin Y, Ma C, Liu C, Wang Z, Yang J, Liu X, Shen Z, Wu R: NMR-based fecal metabolomics fingerprinting as predictors of earlier diagnosis in patients with colorectal cancer. Oncotarget. 2016 May 17;7(20):29454-64. doi: 10.18632/oncotarget.8762.
pubmed_id:27107423
[13]:
reference_text:Brown DG, Rao S, Weir TL, O'Malia J, Bazan M, Brown RJ, Ryan EP: Metabolomics and metabolic pathway networks from human colorectal cancers, adjacent mucosa, and stool. Cancer Metab. 2016 Jun 6;4:11. doi: 10.1186/s40170-016-0151-y. eCollection 2016.
pubmed_id:27275383
[14]:
reference_text:Wang X, Wang J, Rao B, Deng L: Gut flora profiling and fecal metabolite composition of colorectal cancer patients and healthy individuals. Exp Ther Med. 2017 Jun;13(6):2848-2854. doi: 10.3892/etm.2017.4367. Epub 2017 Apr 20.
pubmed_id:28587349
[15]:
reference_text:Silke Matysik, Caroline Ivanne Le Roy, Gerhard Liebisch, Sandrine Paule Claus. Metabolomics of fecal samples: A practical consideration. Trends in Food Science & Technology. Vol. 57, Part B, Nov. 2016, p.244-255: http://www.sciencedirect.com/science/article/pii/S0924224416301984
维基百科编号
Inositol_phosphate
代谢途径的数据库编号
D-MYO-INOSITOL-1-MONOPHOSPHATE
综合参考
Klyashchitskii, B. A.; Pimenova, V. V.; Shvets, V. I.; Sokolov, S. D.; Preobrazhenskii, N. A. Total synthesis of sn-myoinositol 1-phosphate. Zhurnal Obshchei Khimii (1969), 39(10), 2373.
一般参考
1:
protein_accession:HMDBP00326
name:Annexin A3
uniprot_id:P12429
gene_name:ANXA3
protein_type:Unknown
2:
protein_accession:HMDBP00863
name:Inositol monophosphatase 1
uniprot_id:P29218
gene_name:IMPA1
protein_type:Unknown
3:
protein_accession:HMDBP01118
name:Inositol monophosphatase 2
uniprot_id:O14732
gene_name:IMPA2
protein_type:Unknown
4:
protein_accession:HMDBP03276
name:Type II inositol 3,4-bisphosphate 4-phosphatase
uniprot_id:O15327
gene_name:INPP4B
protein_type:Enzyme
5:
protein_accession:HMDBP05901
name:Inositol-3-phosphate synthase 1
uniprot_id:Q9NPH2
gene_name:ISYNA1
protein_type:Unknown
6:
protein_accession:HMDBP06156
name:Type I inositol 3,4-bisphosphate 4-phosphatase
uniprot_id:Q96PE3
gene_name:INPP4A
protein_type:Enzyme
7:
protein_accession:HMDBP08732
name:Inositol monophosphatase 3
uniprot_id:Q9NX62
gene_name:IMPAD1
protein_type:Unknown
蛋白质结合
1:
reference_text:Elshenawy S, Pinney SE, Stuart T, Doulias PT, Zura G, Parry S, Elovitz MA, Bennett MJ, Bansal A, Strauss JF 3rd, Ischiropoulos H, Simmons RA: The Metabolomic Signature of the Placenta in Spontaneous Preterm Birth. Int J Mol Sci. 2020 Feb 4;21(3). pii: ijms21031043. doi: 10.3390/ijms21031043.
pubmed_id:32033212