glycolithocholate

Chemical Formula:

C₂₆H₄₂NO₄

Molecular Weight:

432.622 Daltons

Monoisotopic Mass:

433.3192088739 Daltons

SMILES:

CC(CCC(=O)NCC(=O)[O-])[CH]1(CC[CH]2(C1(C)CC[CH]3([CH]2CC[CH]4(C(C)3CCC(O)C4))))

InChI:

1S/C26H43NO4/c1-16(4-9-23(29)27-15-24(30)31)20-7-8-21-19-6-5-17-14-18(28)10-12-25(17,2)22(19)11-13-26(20,21)3/h16-22,28H,4-15H2,1-3H3,(H,27,29)(H,30,31)/p-1/t16-,17-,18-,19+,20-,21+,22+,25+,26-/m1/s1

InChIKey:

XBSQTYHEGZTYJE-OETIFKLTSA-M

Databases

MetaCyc: GLYCOLITHOCHOLATE

RefMet: Lithocholic acid glycine conjugate

MetaboLights: MTBLC60008

HMDB: HMDB00698

ChEBI: 60008

PubChem (CID): 25201677

KEGG: C15557

Seed: cpd11226

MetaNetX: MNXM4602