4α-carboxy-5α-cholesta-8,24-dien-3β-ol

Chemical Formula:

C₂₈H₄₃O₃

Molecular Weight:

427.646 Daltons

Monoisotopic Mass:

428.3290452787 Daltons

SMILES:

CC(C)=CCCC(C)[CH]3(CC[CH]4(C2(CC[CH]1(C(C([O-])=O)C(O)CCC(C)1C=2CCC(C)34))))

InChI:

1S/C28H44O3/c1-17(2)7-6-8-18(3)20-11-12-21-19-9-10-23-25(26(30)31)24(29)14-16-28(23,5)22(19)13-15-27(20,21)4/h7,18,20-21,23-25,29H,6,8-16H2,1-5H3,(H,30,31)/p-1/t18-,20-,21+,23+,24+,25+,27-,28-/m1/s1

InChIKey:

JHIWIFRQJXLNEU-GSQAGGHASA-M

Databases

MetaCyc: CPD-4702

PubChem (CID): 90659076

Reactome: 194657

Seed: cpd24533

HMDB: HMDB62385

MetaNetX: MNXM6904

ChEBI: 143575