7α-hydroxycholest-4-en-3-one

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)CC4(C(C)3CCC(=O)C=4))))

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/h15,17-18,21-25,29H,6-14,16H2,1-5H3/t18-,21-,22+,23+,24-,25+,26+,27-/m1/s1

InChIKey:

IOIZWEJGGCZDOL-RQDYSCIWSA-N

Synonyms

7α-hydroxy-4-cholesten-3-one
4-cholesten-7α-ol-3-one

Databases

MetaCyc: CPD-1087

MetaboLights: MTBLC17899

HMDB: HMDB01993

LIPID MAPS: LMST04030123

ChemSpider: 110306

KEGG: C05455

PubChem (CID): 123743

ChEBI: 17899

RefMet: 7alpha-Hydroxy-4-cholesten-3-one

Reactome: 192136

Seed: cpd03238

MetaNetX: MNXM595