7α,25-dihydroxycholesterol

Chemical Formula:

C₂₇H₄₆O₃

Molecular Weight:

418.659 Daltons

Monoisotopic Mass:

418.34469534289997 Daltons

SMILES:

CC(CCCC(O)(C)C)[CH]3(CC[CH]4([CH]2(C(O)C=C1(CC(O)CCC(C)1[CH]2CCC(C)34))))

InChI:

1S/C27H46O3/c1-17(7-6-12-25(2,3)30)20-8-9-21-24-22(11-14-27(20,21)5)26(4)13-10-19(28)15-18(26)16-23(24)29/h16-17,19-24,28-30H,6-15H2,1-5H3/t17-,19+,20-,21+,22+,23-,24+,26+,27-/m1/s1

InChIKey:

BQMSKLCEWBSPPY-IKVTXIKFSA-N

Synonyms

cholest-5-ene-3β,7α,25-triol

Databases

MetaCyc: CPD-7286

MetaboLights: MTBLC37623

HMDB: HMDB06280

ChemSpider: 10128492

PubChem (CID): 11954197

ChEBI: 37623

KEGG: C15520

RefMet: 7alpha,25-Dihydroxycholesterol

Reactome: 192184

Seed: cpd11200

MetaNetX: MNXM1646