MetaNetX
Automated Model Construction and Genome Annotation for Large-Scale Metabolic Networks

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androst-4-ene-3,17-dione

	Properties	Image
MNX_ID	MNXM730402
reference	chebi:16422
formula	C₁₉H₂₆O₂
global charge	0
mol weight	286.415
InChIKey	AEMFNILZOJDQLW-QAGGRKNESA-N
InChI	InChI=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/h11,14-16H,3-10H2,1-2H3/t14-,15-,16-,18-,19-/m0/s1
SMILES	C[C@]12CCC(=O)C=C1CC[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/h11,14-16H,3-10H2,1-2H3/t14-,15-,16-,18-,19-/m0/s1
SMILES (mnx)	[CH3:1][C@:18]12[CH2:9][CH2:7][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: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)	72
in models (compartimentalized)	30

Similar chemical compounds in external resources
Identifier	Description
reactome:R-ALL-193079 reactomeM:R-ALL-193079 reactome:R-ALL-5618075 reactomeM:R-ALL-5618075 CHEBI:16422 chebi:16422 AEMFNILZOJDQLW-QAGGRKNESA-N	androst-4-ene-3,17-dione 4-ANDROSTENE-3-17-DIONE 4-Androstene-3,17-dione Androst-4-ene-3,17-dione Androstenedione Delta(4)-androsten-3,17-dione Delta(4)-androstene-3,17-dione
bigg.metabolite:andrstndn biggM:andrstndn envipath:...d49898388b0a envipathM:...d49898388b0a AEMFNILZOJDQLW-QAGGRKNESA-N	Androst-4-ene-3,17-dione
sabiork.compound:5029 sabiorkM:5029 AEMFNILZOJDQLW-QAGGRKNESA-N	Androst-4-ene-3,17-dione 4-Androstene-3,17-dione Androstenedione delta 4-Androstene-3,17-dione
kegg.drug:D00051 keggD:D00051 AEMFNILZOJDQLW-QAGGRKNESA-N	Androstenedione (JAN)
hmdb:HMDB0000053 AEMFNILZOJDQLW-QAGGRKNESA-N	Androstenedione (1S,2R,10R,11S,15S)-2,15-dimethyltetracyclo[8.7.0.0^{2,7}.0^{11,15}]heptadec-6-ene-5,14-dione (4)-Androsten-3,17-dione 17-Ketotestosterone 3,17-Dioxoandrost-4-ene 4 Androstene 3,17 dione 4-ANDROSTENE-3-17-dione 4-Androsten-3,17-dione 4-Androstene-3,17-dione 4-Androstenedione Androst-4-ene-3,17-dione Androstendione D4-Androstene-3,17-dione Fecundin delta 4 Androstenedione delta(4)-Androsten-3,17-dione delta(4)-Androstene-3,17-dione delta-4-Androstenedione delta4-Androstene-3,17-dione delta4-Androstenedione
seed.compound:cpd00237 seedM:cpd00237 AEMFNILZOJDQLW-QAGGRKNESA-N	Androstenedione 4-Androstene-3,17-dione 4-androstene-3,17-dione Androst-4-ene-3,17-dione androst-4-en-3,17-dione androst-4-ene-3,17-dione androstenedione
kegg.compound:C00280 keggC:C00280 AEMFNILZOJDQLW-QAGGRKNESA-N	Androstenedione 4-Androstene-3,17-dione Androst-4-ene-3,17-dione
lipidmaps:LMST02020007 lipidmapsM:LMST02020007 AEMFNILZOJDQLW-QAGGRKNESA-N	Androstenedione O2 ST 19:3 androst-4-ene-3,17-dione
vmhM:andrstndn vmhmetabolite:andrstndn AEMFNILZOJDQLW-QAGGRKNESA-N	androst-4-ene-3,17-dione (1S,2R,10R,11S,15S)-2,15-dimethyltetracyclo[8.7.0.0^{2,7}.0^{11,15}]heptadec-6-ene-5,14-dione
SLM:000001060 slm:000001060 AEMFNILZOJDQLW-QAGGRKNESA-N	androstenedione
metacyc.compound:ANDROST4ENE metacycM:ANDROST4ENE AEMFNILZOJDQLW-QAGGRKNESA-N	androstenedione 4-androstene-3,17-dione androst-4-ene-3,17-dione
hmdb:HMDB00053 chebi:11964 chebi:13830 chebi:20322 chebi:2709 chebi:40930 biggM:M_andrstndn keggC:M_C00280 keggD:M_D00051 seedM:M_cpd00237 vmhM:M_andrstndn	secondary/obsolete/fantasy identifier