7-ketocholesterol

Chemical Formula:

C₂₇H₄₄O₂

Molecular Weight:

400.643 Daltons

Monoisotopic Mass:

400.3341306566 Daltons

SMILES:

CC(C)CCCC(C)[CH]1(CC[CH]2(C(C)1CC[CH]3([CH]2C(=O)C=C4(C(C)3CCC(O)C4))))

InChI:

1S/C27H44O2/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/h16-18,20-23,25,28H,6-15H2,1-5H3/t18-,20+,21-,22+,23+,25+,26+,27-/m1/s1

InChIKey:

YIKKMWSQVKJCOP-ABXCMAEBSA-N

Synonyms

7-oxocholesterol
cholesterol, 7-oxo-
5-cholesten-3β-ol-7-one
3β-hydroxycholest-5-en-7-one

Databases

MetaCyc: CPD-14195

PubChem (CID): 91474

ChEBI: 64294

RefMet: 7-Oxo-cholesterol 7-oxo-cholesterol

Seed: cpd24216

HMDB: HMDB00501

MetaNetX: MNXM39129