7,8-didehydro-17beta-estradiol (CHEBI:62851)

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ChEBI Name	7,8-didehydro-17β-estradiol

ChEBI ID	CHEBI:62851

ChEBI ASCII Name	7,8-didehydro-17beta-estradiol

Definition	A 3-hydroxy steroid that is obtained by formal dehydrogenation across positions 7 and 8 of 17β-estradiol.

Stars	This entity has been manually annotated by the ChEBI Team.

Supplier Information

Download	Molfile XML SDF

Formula

C18H22O2

Net Charge

Average Mass

270.36610

Monoisotopic Mass

270.16198

InChI

InChI=1S/C18H22O2/c1-18-9-8-14-13-5-3-12(19)10-11(13)2-4-15(14)16(18)6-7-17(18)20/h3-5,10,14,16-17,19-20H,2,6-9H2,1H3/t14-,16+,17+,18+/m1/s1

InChIKey

NLLMJANWPUQQTA-UBDQQSCGSA-N

SMILES

[H][C@]12CC[C@]3(C)[C@@H](O)CC[C@@]3([H])C1=CCc1cc(O)ccc21

Roles Classification
Biological Role(s):	metabolite Any intermediate or product resulting from metabolism. The term 'metabolite' subsumes the classes commonly known as primary and secondary metabolites.

ChEBI Ontology
Outgoing	7,8-didehydro-17β-estradiol (CHEBI:62851) has functional parent androstane (CHEBI:35509) 7,8-didehydro-17β-estradiol (CHEBI:62851) has role metabolite (CHEBI:25212) 7,8-didehydro-17β-estradiol (CHEBI:62851) is a 17β-hydroxy steroid (CHEBI:35343) 7,8-didehydro-17β-estradiol (CHEBI:62851) is a 3-hydroxy steroid (CHEBI:36834)

IUPAC Name

estra-1(10),2,4,7-tetraene-3,17β-diol

Last Modified

28 July 2014