25-hydroxycholest-1,4-dien-3-one (CHEBI:157655)

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CHEBI:157655 - 25-hydroxycholest-1,4-dien-3-one

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ChEBI ID	CHEBI:157655
ChEBI Name	25-hydroxycholest-1,4-dien-3-one
Stars
Submitter	Kristian Axelsen
Downloads	Molfile

Formula	C27H42O2
Net Charge	0
Average Mass	398.631
Monoisotopic Mass	398.31848
SMILES	[H][C@@]12CCC3=CC(=O)C=C[C@]3(C)[C@@]1([H])CC[C@@]1(C)[C@@]2([H])CC[C@]1([H])[C@H](C)CCCC(C)(C)O
InChI	InChI=1S/C27H42O2/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/h12,15,17-18,21-24,29H,6-11,13-14,16H2,1-5H3/t18-,21+,22-,23+,24+,26+,27-/m1/s1
InChIKey	PFXYJIRDMVQBGX-REEZCCHISA-N

ChEBI Ontology

Outgoing Relation(s)
	25-hydroxycholest-1,4-dien-3-one (CHEBI:157655) is a 3-oxo-Δ⁴ steroid (CHEBI:47909)
	25-hydroxycholest-1,4-dien-3-one (CHEBI:157655) is a cholestanoid (CHEBI:50401)

UniProt Name	Source
25-hydroxycholest-1,4-dien-3-one	UniProt

Manual Xrefs	Databases
CPD-23330	MetaCyc

Citations