Pregnan-20-one (CHEBI:230321)

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ChEBI Ontology

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This entity has been annotated by a third party. If you would like more information added to this entry, please contact ChEBI via email or GitHub.

ChEBI Name	Pregnan-20-one

ChEBI ID	CHEBI:230321

Stars	This entity has been manually annotated by a third party.

Submitter	MetaboLights

Supplier Information

Download	Molfile XML SDF

Formula

C21H34O

Net Charge

Average Mass

302.502

Monoisotopic Mass

302.26097

InChI

InChI=1S/C21H34O/c1-14(22)17-9-10-18-16-8-7-15-6-4-5-12-20(15,2)19(16)11-13-21(17,18)3/h15-19H,4-13H2,1-3H3/t15?,16-,17+,18-,19-,20-,21+/m0/s1

InChIKey

RSRDWHPVTMQUGZ-OZIWPBGVSA-N

SMILES

O=C([C@@H]1[C@@]2([C@H]([C@H]3[C@@H]([C@@]4(C(CC3)CCCC4)C)CC2)CC1)C)C

Metabolite of Species	Details
Mus musculus (NCBI:txid10090)	Found in feces (BTO:0000440). See: MetaboLights Study

ChEBI Ontology
Outgoing	Pregnan-20-one (CHEBI:230321) has parent hydride pregnane (CHEBI:8386) Pregnan-20-one (CHEBI:230321) is a steroid (CHEBI:35341)

IUPAC Name

1-[(8R,9S,10S,13S,14S,17S)-10,13-dimethyl-2,3,4,5,6,7,8,9,11,12,14,15,16,17-tetradecahydro-1H-cyclopenta[a]phenanthren-17-yl]ethanone