3alpha,7alpha,12alpha-Trihydroxy-5beta-cholestanoic acid,小分子代谢物

3alpha,7alpha,12alpha-Trihydroxy-5beta-cholestanoic acid

SMPDB_ID

SMP0000035

通道名称

Bile Acid Biosynthesis

通路

Metabolic

代谢物ID

PW_C001985

CAS号

547-98-8

公式

C27H46O5

HMDB_ID

HMDB0000601

KEGG_ID

C04722

ChEBI_ID

18402

DrugBank_ID

IUPAC

(6R)-2-methyl-6-[(1S,2S,5R,7S,9R,10R,11S,14R,15R,16S)-5,9,16-trihydroxy-2,15-dimethyltetracyclo[8.7.0.0^{2,7}.0^{11,15}]heptadecan-14-yl]heptanoic acid

微笑

[H][C@@]1(CC[C@@]2([H])[C@]3([H])[C@H](O)C[C@]4([H])C[C@H](O)CC[C@]4(C)[C@@]3([H])C[C@H](O)[C@]12C)[C@H](C)CCCC(C)C(O)=O

InChI

InChI=1S/C27H46O5/c1-15(6-5-7-16(2)25(31)32)19-8-9-20-24-21(14-23(30)27(19,20)4)26(3)11-10-18(28)12-17(26)13-22(24)29/h15-24,28-30H,5-14H2,1-4H3,(H,31,32)/t15-,16?,17+,18-,19-,20+,21+,22-,23+,24+,26+,27-/m1/s1

InChI关键

CNWPIIOQKZNXBB-VCVMUKOKSA-N