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testosterone acetate

MNXM2289 is deprecated and here replaced by MNXM732788
!!! Alternative mappings exist !!!
PropertiesImage
MNX_IDMNXM732788 Image of MNXM732788
referencechebi:16524
formulaC21H30O3
global charge0
mol weight330.468
InChIKeyDJPZSBANTAQNFN-PXQJOHHUSA-N
InChIInChI=1S/C21H30O3/c1-13(22)24-19-7-6-17-16-5-4-14-12-15(23)8-10-20(14,2)18(16)9-11-21(17,19)3/h12,16-19H,4-11H2,1-3H3/t16-,17-,18-,19-,20-,21-/m0/s1
SMILESCC(=O)O[C@H]1CC[C@H]2[C@@H]3CCC4=CC(=O)CC[C@]4(C)[C@H]3CC[C@]12C
MNX internals
InChI (mnx)InChI=1/C21H30O3/c1-13(22)24-19-7-6-17-16-5-4-14-12-15(23)8-10-20(14,2)18(16)9-11-21(17,19)3/h12,16-19H,4-11H2,1-3H3/t16-,17-,18-,19-,20-,21-/m0/s1 Image of MNXM732788
SMILES (mnx)[CH3:1][C:13](=[O:22])[O:24][C@H:19]1[CH2:7][CH2:6][C@H:17]2[C@@H:16]3[CH2:5][CH2:4][C:14]4=[CH:12][C:15](=[O:23])[CH2:8][CH2:10][C@:20]4([CH3:2])[C@H:18]3[CH2:9][CH2:11][C@@:21]21[CH3:3]
Parent-child relations graph
Occurences in reactions#reac
in my sandbox 0
in MNXref (generic)5
in models (compartimentalized) 0
Similar chemical compounds in external resources
IdentifierDescription

CHEBI:16524
chebi:16524
DJPZSBANTAQNFN-PXQJOHHUSA-N 		testosterone acetate
17beta-acetoxy-4-androsten-3-one
17beta-acetoxy-Delta(4)-androstan-3-one
17beta-hydroxyandrost-4-en-3-one acetate
3-oxoandrost-4-en-17beta-yl acetate
Testosterone acetate
testosterone 17-acetate
hmdb:HMDB0062780
DJPZSBANTAQNFN-PXQJOHHUSA-N 		Testosterone Acetate
(1S,2R,10R,11S,14S,15S)-2,15-dimethyl-5-oxotetracyclo[8.7.0.0^{2,7}.0^{11,15}]heptadec-6-en-14-yl acetate
17b-Acetoxy-4-androsten-3-one
17b-Acetoxy-delta(4)-androstan-3-one
17b-Hydroxyandrost-4-en-3-one acetate
17b-Hydroxyandrost-4-en-3-one acetic acid
17beta-Acetoxy-4-androsten-3-one
17beta-Acetoxy-Delta(4)-androstan-3-one
17beta-Hydroxyandrost-4-en-3-one acetate
17beta-Hydroxyandrost-4-en-3-one acetic acid
17beta-acetoxy-4-androsten-3-one
17beta-acetoxy-delta(4)-androstan-3-one
17beta-hydroxyandrost-4-en-3-one acetate
17beta-hydroxyandrost-4-en-3-one acetic acid
4-Androsten-17-ol-3-one acetate
Testosterone 17-acetate
Testosterone 17-acetic acid
Testosterone acetic acid

sabiork.compound:6420
sabiorkM:6420
kegg.compound:C03027
keggC:C03027
DJPZSBANTAQNFN-PXQJOHHUSA-N 		Testosterone acetate

lipidmaps:LMST02020057
lipidmapsM:LMST02020057
DJPZSBANTAQNFN-PXQJOHHUSA-N 		Testosterone acetate
17beta-hydroxyandrost-4-en-3-one, 17-acetate
O3
ST 21:3

seed.compound:cpd01936
seedM:cpd01936
DJPZSBANTAQNFN-PXQJOHHUSA-N 		Testosterone acetate
testosterone acetate

metacyc.compound:CPD-271
metacycM:CPD-271
DJPZSBANTAQNFN-PXQJOHHUSA-N 		testosterone acetate

hmdb:HMDB62780
chebi:15215
chebi:26884
chebi:9462
keggC:M_C03027
seedM:M_cpd01936 		secondary/obsolete/fantasy identifier