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androst-5-ene-3,17-dione

PropertiesImage
MNX_IDMNXM736128 Image of MNXM736128
referencechebi:83865
formulaC19H26O2
global charge0
mol weight286.415
InChIKeySQGZFRITSMYKRH-QAGGRKNESA-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/h3,14-16H,4-11H2,1-2H3/t14-,15-,16-,18-,19-/m0/s1
SMILESC[C@]12CCC(=O)CC1=CC[C@@H]1[C@@H]2CC[C@]2(C)C(=O)CC[C@@H]12
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/h3,14-16H,4-11H2,1-2H3/t14-,15-,16-,18-,19-/m0/s1 Image of MNXM736128
SMILES (mnx)[CH3:1][C@:18]12[CH2:9][CH2:7][C:13](=[O:20])[CH2:11][C:12]1=[CH:3][CH2:4][C@H:14]1[C@@H:15]3[CH2:5][CH2:6][C:17](=[O: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)4
in models (compartimentalized) 6
Similar chemical compounds in external resources
IdentifierDescription

CHEBI:83865
chebi:83865
SQGZFRITSMYKRH-QAGGRKNESA-N 		androst-5-ene-3,17-dione
5-androstene-3,17-dione
Delta(5)-androstene-3,17-dione
delta5-Androstene-3,17-dione

kegg.compound:C20252
keggC:C20252
SQGZFRITSMYKRH-QAGGRKNESA-N 		5-Androstene-3,17-dione

seed.compound:cpd21485
seedM:cpd21485
SQGZFRITSMYKRH-QAGGRKNESA-N 		5-Androstene-3,17-dione
5-androstene-3,17-dione
androst-5-ene-3,17-dione
hmdb:HMDB0304212
SQGZFRITSMYKRH-UHFFFAOYSA-N 		5-androstene-3,17-dione
2,15-dimethyltetracyclo[8.7.0.0²,⁷.0¹¹,¹⁵]heptadec-7-ene-5,14-dione

bigg.metabolite:M01075
biggM:M01075
SQGZFRITSMYKRH-QAGGRKNESA-N 		Androst-5-Ene-3,17-Dione

vmhM:M01075
vmhmetabolite:M01075
SQGZFRITSMYKRH-QAGGRKNESA-N 		Androst-5-Ene-3,17-Dione
(1S,2R,10R,11S,15S)-2,15-dimethyltetracyclo[8.7.0.0²,⁷.0¹¹,¹⁵]heptadec-7-ene-5,14-dione

sabiork.compound:23043
sabiorkM:23043
SQGZFRITSMYKRH-UHFFFAOYSA-N 		Androst-5-ene-3,17-dione
5-Androstene-3,17-dione
delta 5-Androstene-3,17-dione

SLM:000390143
slm:000390143
SQGZFRITSMYKRH-QAGGRKNESA-N 		androst-5-ene-3,17-dione
hmdb:HMDB0062415
SQGZFRITSMYKRH-QAGGRKNESA-N 		androst-5-ene-3,17-dione
(1S,2R,10R,11S,15S)-2,15-dimethyltetracyclo[8.7.0.0²,⁷.0¹¹,¹⁵]heptadec-7-ene-5,14-dione
5-Androstene-3,17-dione
Delta(5)-Androstene-3,17-dione
delta(5)-androstene-3,17-dione
delta5-Androstene-3,17-dione
delta5-androstene-3,17-dione

metacyc.compound:CPD66-29
metacycM:CPD66-29
SQGZFRITSMYKRH-QAGGRKNESA-N 		androst-5-ene-3,17-dione
5-androstene-3,17-dione

hmdb:HMDB62415
biggM:M_M01075
keggC:M_C20252
seedM:M_cpd21485
vmhM:M_M01075 		secondary/obsolete/fantasy identifier