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16alpha-hydroxyandrost-4-ene-3,17-dione

Properties

Image

Occurences in reactions

MNX_ID

MNXM5426

	#reac
in my sandbox	0
in MNXref (generic)	3
in models (compartimentalized)	1

formula

C₁₉H₂₆O₃

charge

mass

302.18819

reference

InChIKey

SSBCZTXGVMMZOT-NBBHSKLNSA-N

InChI

InChI=1S/C19H26O3/c1-18-7-5-12(20)9-11(18)3-4-13-14(18)6-8-19(2)15(13)10-16(21)17(19)22/h9,13-16,21H,3-8,10H2,1-2H3/t13-,14+,15+,16-,18+,19+/m1/s1

SMILES

C[C@]12CC[C@H]3[C@@H](CCC4=CC(=O)CC[C@@]43C)[C@@H]1C[C@@H](O)C2=O

Parent-child relations graph

Deprecated MNXref IDs graph

Similar chemical compounds in external resources
Identifier	Description
CHEBI:27582 chebi:27582	16alpha-hydroxyandrost-4-ene-3,17-dione 16alpha-Hydroxyandrost-4-ene-3,17-dione 4-Androsten-16alpha-ol-3,17-dione 4-androsten-16alpha-ol-3,17-dione
hmdb:HMDB0006774	16a-Hydroxyandrost-4-ene-3,17-dione (1S,2R,10R,11S,13R,15S)-13-hydroxy-2,15-dimethyltetracyclo[8.7.0.0²,⁷.0¹¹,¹⁵]heptadec-6-ene-5,14-dione 16 alpha-Hydroxyandrost-4-en-3,17-dione 16-Hydroxyandrost-4-en-3,17-dione 16-Hydroxyandrost-4-en-3,17-dione, (16alpha)-isomer 16-Hydroxyandrost-4-en-3,17-dione, (16beta)-isomer 16alpha-Hydroxyandrost-4-ene-3,17-dione 16alpha-Hydroxyandrostenedione 16alpha-OHAD 16alpha-hydroxyandrost-4-ene-3,17-dione 4-Androsten-16a-ol-3,17-dione 4-Androsten-16alpha-ol-3,17-dione 4-androsten-16alpha-ol-3,17-dione
kegg.compound:C05140 keggC:C05140	16alpha-Hydroxyandrost-4-ene-3,17-dione 4-Androsten-16alpha-ol-3,17-dione
metacyc.compound:CPD-15604 metacycM:CPD-15604	16alpha-hydroxy-androst-4-ene-3,17-dione 16alpha-hydroxy-4-androstene-3,17-dione 16alpha-hydroxy-androstenedione
lipidmaps:LMST02020065 lipidmapsM:LMST02020065	16alpha-hydroxyandrost-4-ene-3,17-dione O3 ST 19:3
seed.compound:cpd03060 seedM:cpd03060	4-Androsten-16alpha-ol-3,17-dione 16alpha-Hydroxyandrost-4-ene-3,17-dione 16alpha-hydroxy-4-androstene-3,17-dione 16alpha-hydroxy-androst-4-ene-3,17-dione 16alpha-hydroxy-androstenedione
hmdb:HMDB06774 chebi:19162 chebi:774 keggC:M_C05140 seedM:M_cpd03060	secondary/obsolete/fantasy identifier