25-hydroxycholesterol

Chemical Formula:

C₂₇H₄₆O₂

Molecular Weight:

402.659 Daltons

Monoisotopic Mass:

402.34978072079997 Daltons

SMILES:

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

InChI:

1S/C27H46O2/c1-18(7-6-14-25(2,3)29)22-10-11-23-21-9-8-19-17-20(28)12-15-26(19,4)24(21)13-16-27(22,23)5/h8,18,20-24,28-29H,6-7,9-17H2,1-5H3/t18-,20+,21+,22-,23+,24+,26+,27-/m1/s1

InChIKey:

INBGSXNNRGWLJU-ZHHJOTBYSA-N

Synonyms

cholest-5-ene-3β,25-diol

Databases

MetaCyc: CPD-7285

RefMet: 25-Hydroxycholesterol 25-hydroxy-cholesterol

DRUGBANK: DB04705

MetaboLights: MTBLC42977

HMDB: HMDB06247

LIPID MAPS: LMST01010018

ChemSpider: 58604

PubChem (CID): 65094

ChEBI: 42977

KEGG: C15519

Seed: cpd11199

MetaNetX: MNXM852