deoxycholate





Chemical Formula:
C24H39O4
Molecular Weight:
391.57 Daltons
Monoisotopic Mass:
392.2926597724 Daltons
SMILES:
CC([CH]3(CC[CH]4([CH]2(CC[CH]1(CC(O)CCC(C)1[CH]2CC(O)C(C)34)))))CCC(=O)[O-]
InChI:
1S/C24H40O4/c1-14(4-9-22(27)28)18-7-8-19-17-6-5-15-12-16(25)10-11-23(15,2)20(17)13-21(26)24(18,19)3/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

Synonyms
  • deoxycholic acid
  • 3α,12α-dihydroxy-5β-cholanate

Databases
MetaCyc:  DEOXYCHOLATE
RefMet:  Deoxycholic acid
MetaboLights:  MTBLC23614
HMDB:  HMDB00626
ChemSpider:  7827584
ChEBI:  23614
PubChem (CID):  9548661 222528
KEGG:  C04483
NCI:  8797
Seed:  cpd02733
MetaNetX:  MNXM57907