glycocholate

Chemical Formula:

C₂₆H₄₂NO₆

Molecular Weight:

464.621 Daltons

Monoisotopic Mass:

465.3090381181 Daltons

SMILES:

CC(CCC(=O)NCC([O-])=O)[CH]2(CC[CH]3([CH]4(C(O)C[CH]1(CC(O)CCC(C)1[CH](CC(O)C(C)23)4))))

InChI:

1S/C26H43NO6/c1-14(4-7-22(31)27-13-23(32)33)17-5-6-18-24-19(12-21(30)26(17,18)3)25(2)9-8-16(28)10-15(25)11-20(24)29/h14-21,24,28-30H,4-13H2,1-3H3,(H,27,31)(H,32,33)/p-1/t14-,15+,16-,17-,18+,19+,20-,21+,24+,25+,26-/m1/s1

InChIKey:

RFDAIACWWDREDC-FRVQLJSFSA-M

Synonyms

glycocholic acid
3α,7α,12α-trihydroxy-5β-cholan-24-oylglycine

Databases

MetaCyc: GLYCOCHOLIC_ACID

RefMet: Glycocholi Glycocholic Acid

MetaboLights: MTBLC29746

HMDB: HMDB00138

DRUGBANK: DB02691

ChemSpider: 4573891

ChEBI: 29746

PubChem (CID): 5460316

KEGG: C01921

CAS: 475-31-0

Seed: cpd01318

MetaNetX: MNXM1560