glycochenodeoxycholate

Chemical Formula:

C₂₆H₄₂NO₅

Molecular Weight:

448.621 Daltons

Monoisotopic Mass:

449.314123496 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](CCC(C)23)4))))

InChI:

1S/C26H43NO5/c1-15(4-7-22(30)27-14-23(31)32)18-5-6-19-24-20(9-11-26(18,19)3)25(2)10-8-17(28)12-16(25)13-21(24)29/h15-21,24,28-29H,4-14H2,1-3H3,(H,27,30)(H,31,32)/p-1/t15-,16+,17-,18-,19+,20+,21-,24+,25+,26-/m1/s1

InChIKey:

GHCZAUBVMUEKKP-GYPHWSFCSA-M

Synonyms

glycochenodeoxycholic acid

Databases

MetaCyc: GLYCOCHENODEOXYCHOLIC_ACID

RefMet: Glycochenodeoxycholic acid

MetaboLights: MTBLC36252

HMDB: HMDB00637

ChemSpider: 7827719

PubChem (CID): 9548796 12544

ChEBI: 36252

KEGG: C05466

CAS: 640-79-9

MetaNetX: MNXM2379