4α-carboxy-4β-methyl-5α-cholesta-8-en-3β-ol

Chemical Formula:

C₂₉H₄₇O₃

Molecular Weight:

443.688 Daltons

Monoisotopic Mass:

444.3603454071 Daltons

SMILES:

CC(C)CCCC([CH]4(C1(C)([CH](C2(=C(CC1)C3(C)([CH](CC2)C(C)(C([O-])=O)C(O)CC3)))CC4)))C

InChI:

1S/C29H48O3/c1-18(2)8-7-9-19(3)21-11-12-22-20-10-13-24-28(5,23(20)14-16-27(21,22)4)17-15-25(30)29(24,6)26(31)32/h18-19,21-22,24-25,30H,7-17H2,1-6H3,(H,31,32)/p-1/t19-,21-,22+,24-,25+,27-,28-,29+/m1/s1

InChIKey:

GLCDBDRQLZKKOJ-LJAIZBFVSA-M

Databases

MetaCyc: CPD-8613

ChEBI: 87047

PubChem (CID): 91826592

HMDB: HMDB12165

Seed: cpd25361

MetaNetX: MNXM10246