PIP2[4,5](16:0/18:1(9Z)),小分子代谢物

PIP2[4,5](16:0/18:1(9Z))

SMPDB_ID

SMP0000463

通道名称

Phosphatidylinositol Phosphate Metabolism

通路

Metabolic

代谢物ID

PW_C040458

CAS号

公式

C42H82O19P3

HMDB_ID

HMDB0061188

KEGG_ID

ChEBI_ID

DrugBank_ID

IUPAC

[(2R,4R)-4-({[(2R)-3-(hexadecanoyloxy)-2-[(9Z)-octadec-9-enoyloxy]propoxy](hydroxy)phosphoryl}oxy)-2,3,5-trihydroxy-6-(phosphonooxy)-1浣嶉瞾-oxan-1-yl]phosphonic acid

微笑

[H][C@@](COC(=O)CCCCCCCCCCCCCCC)(COP(O)(=O)O[C@@H]1C(O)[C@H](O)[O](C(OP(O)(O)=O)C1O)P(O)(O)=O)OC(=O)CCCCCCC\C=C/CCCCCCCC

InChI

InChI=1S/C42H82O19P3/c1-3-5-7-9-11-13-15-17-18-20-22-24-26-28-30-32-37(44)58-35(33-56-36(43)31-29-27-25-23-21-19-16-14-12-10-8-6-4-2)34-57-64(54,55)59-40-38(45)41(47)61(63(51,52)53)42(39(40)46)60-62(48,49)50/h17-18,35,38-42,45-47H,3-16,19-34H2,1-2H3,(H,54,55)(H2,48,49,50)(H2,51,52,53)/b18-17-/t35-,38?,39?,40-,41-,42?/m1/s1

InChI关键

VKKNRCWSZGTSND-HORVAYGASA-N