hyodeoxycholate
Chemical Formula:
C24H39O4
Molecular Weight:
391.57 Daltons
Monoisotopic Mass:
392.2926597724 Daltons
SMILES:
CC([CH]3(CC[CH]4([CH]2(CC(O)[CH]1(CC(O)CCC(C)1[CH]2CCC(C)34)))))CCC(=O)[O-]
InChI:
1S/C24H40O4/c1-14(4-7-22(27)28)17-5-6-18-16-13-21(26)20-12-15(25)8-10-24(20,3)19(16)9-11-23(17,18)2/h14-21,25-26H,4-13H2,1-3H3,(H,27,28)/p-1/t14-,15-,16+,17-,18+,19+,20+,21+,23-,24-/m1/s1
InChIKey:
Synonyms
- hyodeoxycholic acid
- 3α,6α-dihydroxy-5β-cholan-24-oate
Databases
MetaCyc:
CPD-7284
RefMet:
Hyodeoxycholic acid
ChemSpider:
10044572
ChEBI:
58875
KEGG:
C15517
Seed:
cpd11197
HMDB:
HMDB00733
MetaNetX:
MNXM4014