7α-hydroxycholesterol

Chemical Formula:

C₂₇H₄₆O₂

Molecular Weight:

402.659 Daltons

Monoisotopic Mass:

402.34978072079997 Daltons

SMILES:

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

InChI:

1S/C27H46O2/c1-17(2)7-6-8-18(3)21-9-10-22-25-23(12-14-27(21,22)5)26(4)13-11-20(28)15-19(26)16-24(25)29/h16-18,20-25,28-29H,6-15H2,1-5H3/t18-,20+,21-,22+,23+,24-,25+,26+,27-/m1/s1

InChIKey:

OYXZMSRRJOYLLO-RVOWOUOISA-N

Synonyms

cholest-5-ene-3β,7α-diol
5-cholesten-3β,7α-diol

Databases

MetaCyc: CPD-266

HMDB: HMDB01496

LIPID MAPS: LMST01010013

ChemSpider: 96891

PubChem (CID): 107722

ChEBI: 17500

KEGG: C03594

RefMet: 7alpha-Hydroxy-cholesterol 7alpha-hydroxy-cholesterol

Reactome: 192114

Seed: cpd02262

MetaNetX: MNXM740