dehydrocholate

Chemical Formula:

C₂₄H₃₃O₅

Molecular Weight:

401.522 Daltons

Monoisotopic Mass:

402.2406242019 Daltons

SMILES:

CC([CH]3(CC[CH]4([CH]2(C(=O)C[CH]1(CC(=O)CCC(C)1[CH]2CC(=O)C(C)34)))))CCC(=O)[O-]

InChI:

1S/C24H34O5/c1-13(4-7-21(28)29)16-5-6-17-22-18(12-20(27)24(16,17)3)23(2)9-8-15(25)10-14(23)11-19(22)26/h13-14,16-18,22H,4-12H2,1-3H3,(H,28,29)/p-1/t13-,14+,16-,17+,18+,22+,23+,24-/m1/s1

InChIKey:

OHXPGWPVLFPUSM-KLRNGDHRSA-M

Synonyms

3,7,12-trioxo-5β-cholan-24-oate
dehydrocholic acid
3,7,12-trioxo-5β-cholanate
3,7,12-trioxo-5β-cholanic acid
3,7,12-triketocholanic acid
3,7,12-trioxocholanic acid
decholin

Databases

MetaCyc: CPD-13676

ChEBI: 137881

Wikipedia: Dehydrocholic_acid

PubChem (CID): 11869222

LIPID MAPS: LMST04010106

KEGG: C13154

Seed: cpd09389

MetaNetX: MNXM27639