isochenodeoxycholate





Chemical Formula:
C24H39O4
Molecular Weight:
391.57 Daltons
Monoisotopic Mass:
392.2926597724 Daltons
SMILES:
CC(CCC(=O)[O-])[CH]2(CC[CH]3([CH]4(C(O)C[CH]1(CC(O)CCC(C)1[CH](CCC(C)23)4))))
InChI:
1S/C24H40O4/c1-14(4-7-21(27)28)17-5-6-18-22-19(9-11-24(17,18)3)23(2)10-8-16(25)12-15(23)13-20(22)26/h14-20,22,25-26H,4-13H2,1-3H3,(H,27,28)/p-1/t14-,15+,16+,17-,18+,19+,20-,22+,23+,24-/m1/s1

Synonyms
  • 3β, 7α-dihydroxy-5β-cholanic acid

Databases
MetaCyc:  CPD-18826
ChEBI:  87730
PubChem (CID):  20848943
Seed:  cpd17775
HMDB:  HMDB00361
MetaNetX:  MNXM57865
KEGG:  C17660