chenodeoxycholate

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

InChIKey:

RUDATBOHQWOJDD-BSWAIDMHSA-M

Synonyms

3α, 7α-dihydroxy-5β-cholanic acid
chenodexycholic acid
chenodiol
chenic acid

Databases

MetaCyc: CPD-15189

RefMet: Chenodeoxycholi Chenodeoxycholic Acid

MetaboLights: MTBLC36234

HMDB: HMDB00518

ChEBI: 36234

CAS: 474-25-9

KEGG: C02528

PubChem (CID): 9548590

ChemSpider: 7827514

Reactome: 194096

Seed: cpd01663

MetaNetX: MNXM1183