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Delta(1)-progesterone

PropertiesImage
MNX_IDMNXM48973 Image of MNXM48973
referencechebi:34073
formulaC21H28O2
global charge0
mol weight312.453
InChIKeyQIEPWCSVQYUPIY-LEKSSAKUSA-N
InChIInChI=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/h8,10,12,16-19H,4-7,9,11H2,1-3H3/t16-,17+,18-,19-,20-,21+/m0/s1
SMILESCC(=O)[C@H]1CC[C@H]2[C@@H]3CCC4=CC(=O)C=C[C@]4(C)[C@H]3CC[C@]12C
MNX internals
InChI (mnx)InChI=1/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/h8,10,12,16-19H,4-7,9,11H2,1-3H3/t16-,17+,18-,19-,20-,21+/m0/s1 Image of MNXM48973
SMILES (mnx)[CH3:1][C:13]([C@H:17]1[CH2:6][CH2:7][C@H:18]2[C@@H:16]3[CH2:5][CH2:4][C:14]4=[CH:12][C:15](=[O:23])[CH:8]=[CH:10][C@:20]4([CH3:2])[C@H:19]3[CH2:9][CH2:11][C@:21]12[CH3:3])=[O:22]
Parent-child relations graph
Occurences in reactions#reac
in my sandbox 0
in MNXref (generic)0
in models (compartimentalized) 0
Similar chemical compounds in external resources
IdentifierDescription

CHEBI:34073
chebi:34073
QIEPWCSVQYUPIY-LEKSSAKUSA-N 		Delta(1)-progesterone
1,2-dehydroprogesterone
1,2-didehydroprogesterone
1-Dehydroprogesterone
3,20-dioxo-1,4-pregnadiene
3,20-dioxo-pregna-1,4-diene
Pregna-1,4-diene-3,20-dione
delta1-Progesterone
pregna-1,4-diene-3,20-dione

kegg.compound:C14677
keggC:C14677
QIEPWCSVQYUPIY-LEKSSAKUSA-N 		1-Dehydroprogesterone
Delta1-Progesterone
Pregna-1,4-diene-3,20-dione

lipidmaps:LMST02030147
lipidmapsM:LMST02030147
QIEPWCSVQYUPIY-LEKSSAKUSA-N 		Delta(1)-progesterone
1,2-dehydroprogesterone
1,2-didehydroprogesterone
1-Dehydroprogesterone
O2
Pregna-1,4-diene-3,20-dione
ST 21:4
delta1-Progesterone
pregna-1,4-diene-3,20-dione

seed.compound:cpd10375
seedM:cpd10375
QIEPWCSVQYUPIY-LEKSSAKUSA-N 		delta1-Progesterone
1-Dehydroprogesterone
Pregna-1,4-diene-3,20-dione

keggC:M_C14677
seedM:M_cpd10375 		secondary/obsolete/fantasy identifier