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16,17-didehydroprogesterone

Properties

Image

Occurences in reactions

MNX_ID

MNXM4254

	#reac
in my sandbox	0
in MNXref (generic)	1
in models (compartimentalized)	0

formula

C₂₁H₂₈O₂

charge

mass

312.20893

reference

chebi:18204

InChIKey

VRRHHTISESGZFN-RKFFNLMFSA-N

InChI

InChI=1S/C21H28O2/c1-13(22)17-6-7-18-16-5-4-14-12-15(23)8-10-20(14,2)19(16)9-11-21(17,18)3/h6,12,16,18-19H,4-5,7-11H2,1-3H3/t16-,18-,19-,20-,21+/m0/s1

SMILES

CC(=O)C1=CC[C@H]2[C@@H]3CCC4=CC(=O)CC[C@]4(C)[C@H]3CC[C@]12C

Parent-child relations graph

Deprecated MNXref IDs graph

Similar chemical compounds in external resources
Identifier	Description
CHEBI:18204 chebi:18204	16,17-didehydroprogesterone 16,17-Didehydroprogesterone 16-Dehydroprogesterone 3,20-dioxopregna-4,16-diene Delta(4,16)-pregnadiene-3,20-dione pregna-4,16-diene-3,20-dione
lipidmaps:LMST02030163 lipidmapsM:LMST02030163	16,17-didehydroprogesterone 16,17-Didehydroprogesterone 16-Dehydroprogesterone 3,20-dioxopregna-4,16-diene Delta(4,16)-pregnadiene-3,20-dione O2 ST 21:4 pregna-4,16-diene-3,20-dione
hmdb:HMDB0000995	16-Dehydroprogesterone (1S,2R,10R,11S,15S)-14-acetyl-2,15-dimethyltetracyclo[8.7.0.0^{2,7}.0^{11,15}]heptadeca-6,13-dien-5-one 16,17-Didehydroprogesterone 3,20-Dioxopregna-4,16-diene 4,16-Pregnadiene-3,20-dione D16-Progesterone D4,16-Pregnadiene-3,20-dione Delta(4,16)-Pregnadiene-3,20-dione Delta.16-progesterone Delta4,16-Pregnadiene-3,20-dione Pregna-4,16-diene-3,20-dione delta(16)-Progesterone delta(4,16)-pregnadiene-3,20-dione
kegg.compound:C03207 keggC:C03207	16-Dehydroprogesterone 16,17-Didehydroprogesterone
seed.compound:cpd02049 seedM:cpd02049	16-Dehydroprogesterone 16,17-Didehydroprogesterone 16-dehydroprogesterone
metacyc.compound:16-17-DIDEHYDROPROGESTERONE metacycM:16-17-DIDEHYDROPROGESTERONE	16-dehydroprogesterone 16,17-Didehydroprogesterone
hmdb:HMDB00995 chebi:11327 chebi:11328 chebi:19157 chebi:19158 chebi:764 keggC:M_C03207 seedM:M_cpd02049	secondary/obsolete/fantasy identifier