β-D-galactosyl-chenodeoxycholate
Chemical Formula:
C30H50O9
Molecular Weight:
554.72 Daltons
Monoisotopic Mass:
554.3454832039 Daltons
SMILES:
CC(CCC(=O)OC1(OC(CO)C(O)C(O)C(O)1))[CH]3(CC[CH]4([CH]5(C(O)C[CH]2(CC(O)CCC(C)2[CH](CCC(C)34)5))))
InChI:
1S/C30H50O9/c1-15(4-7-23(34)39-28-27(37)26(36)25(35)22(14-31)38-28)18-5-6-19-24-20(9-11-30(18,19)3)29(2)10-8-17(32)12-16(29)13-21(24)33/h15-22,24-28,31-33,35-37H,4-14H2,1-3H3/t15-,16+,17-,18-,19+,20+,21-,22-,24+,25+,26+,27-,28+,29+,30-/m1/s1
InChIKey:
Databases
MetaCyc:
CPD-19690
PubChem (CID):
101362432
MetaNetX:
MNXM167288