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17beta-hydroxyandrosta-1,4-dien-3-one

MNXM730876 is deprecated and replaced by MNXM730875
PropertiesImage
MNX_IDMNXM730875 Image of MNXM730875
referencechebi:34584
formulaC19H26O2
global charge0
mol weight286.415
InChIKeyRSIHSRDYCUFFLA-DYKIIFRCSA-N
InChIInChI=1S/C19H26O2/c1-18-9-7-13(20)11-12(18)3-4-14-15-5-6-17(21)19(15,2)10-8-16(14)18/h7,9,11,14-17,21H,3-6,8,10H2,1-2H3/t14-,15-,16-,17-,18-,19-/m0/s1
SMILESC[C@]12CC[C@H]3[C@@H](CCC4=CC(=O)C=C[C@@]43C)[C@@H]1CC[C@@H]2O
MNX internals
InChI (mnx)InChI=1/C19H26O2/c1-18-9-7-13(20)11-12(18)3-4-14-15-5-6-17(21)19(15,2)10-8-16(14)18/h7,9,11,14-17,21H,3-6,8,10H2,1-2H3/t14-,15-,16-,17-,18-,19-/m0/s1 Image of MNXM730875
SMILES (mnx)[CH3:1][C@:18]12[CH:9]=[CH:7][C:13](=[O:20])[CH:11]=[C:12]1[CH2:3][CH2:4][C@H:14]1[C@@H:15]3[CH2:5][CH2:6][C@H:17]([OH:21])[C@@:19]3([CH3:2])[CH2:10][CH2:8][C@@H:16]12
Parent-child relations graph
Occurences in reactions#reac
in my sandbox 0
in MNXref (generic)3
in models (compartimentalized) 1
Similar chemical compounds in external resources
IdentifierDescription

CHEBI:34584
chebi:34584
RSIHSRDYCUFFLA-DYKIIFRCSA-N 		17beta-hydroxyandrosta-1,4-dien-3-one
(17beta)-17-hydroxyandrosta-1,4-dien-3-one
1,2-Dehydrotestosterone
1,2-Didehydrotestosterone
1,4-Androstadien-17beta-ol-3-one
17beta-Boldenone
Boldenone
boldenona
boldenone
boldenonum

metacyc.compound:CPD-23372
metacycM:CPD-23372
RSIHSRDYCUFFLA-DYKIIFRCSA-N 		1-dehydrotestosterone

envipath:...f94f51f9e30d
envipathM:...f94f51f9e30d
RSIHSRDYCUFFLA-DYKIIFRCSA-N 		17beta-Hydroxyandrosta-1,4-diene-3-one

SLM:000501175
slm:000501175
RSIHSRDYCUFFLA-DYKIIFRCSA-N 		17beta-hydroxyandrosta-1,4-dien-3-one

kegg.drug:D07536
keggD:D07536
RSIHSRDYCUFFLA-DYKIIFRCSA-N 		Boldenone (INN)

sabiork.compound:21756
sabiorkM:21756
RSIHSRDYCUFFLA-DYKIIFRCSA-N 		Boldenone
1,4-Androstadien-17beta-ol-3-one
17beta-Boldenone

seed.compound:cpd10201
seedM:cpd10201
RSIHSRDYCUFFLA-DYKIIFRCSA-N 		Boldenone
17beta-Boldenone

kegg.compound:C14502
keggC:C14502
RSIHSRDYCUFFLA-DYKIIFRCSA-N 		Boldenone
17beta-Boldenone
17beta-Hydroxyandrost-1,4-diene-3-one

lipidmaps:LMST02020018
lipidmapsM:LMST02020018
RSIHSRDYCUFFLA-DYKIIFRCSA-N 		Dehydrotestosterone
17beta-hydroxyandrosta-1,4-dien-3-one
O2
ST 19:3

keggC:M_C14502
keggD:M_D07536
seedM:M_cpd10201 		secondary/obsolete/fantasy identifier