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19-hydroxyandrost-4-ene-3,17-dione

PropertiesImage
MNX_IDMNXM90384 Image of MNXM90384
referencechebi:27576
formulaC19H26O3
global charge0
mol weight302.414
InChIKeyXGUHPTGEXRHMQQ-BGJMDTOESA-N
InChIInChI=1S/C19H26O3/c1-18-8-7-16-14(15(18)4-5-17(18)22)3-2-12-10-13(21)6-9-19(12,16)11-20/h10,14-16,20H,2-9,11H2,1H3/t14-,15-,16-,18-,19+/m0/s1
SMILESC[C@]12CC[C@H]3[C@@H](CCC4=CC(=O)CC[C@@]43CO)[C@@H]1CCC2=O
MNX internals
InChI (mnx)InChI=1/C19H26O3/c1-18-8-7-16-14(15(18)4-5-17(18)22)3-2-12-10-13(21)6-9-19(12,16)11-20/h10,14-16,20H,2-9,11H2,1H3/t14-,15-,16-,18-,19+/m0/s1 Image of MNXM90384
SMILES (mnx)[CH3:1][C@:18]12[CH2:8][CH2:7][C@H:16]3[C@@H:14]([CH2:3][CH2:2][C:12]4=[CH:10][C:13](=[O:21])[CH2:6][CH2:9][C@@:19]43[CH2:11][OH:20])[C@@H:15]1[CH2:4][CH2:5][C:17]2=[O:22]
Parent-child relations graph
Occurences in reactions#reac
in my sandbox 0
in MNXref (generic)16
in models (compartimentalized) 5
Similar chemical compounds in external resources
IdentifierDescription

CHEBI:27576
chebi:27576
XGUHPTGEXRHMQQ-BGJMDTOESA-N 		19-hydroxyandrost-4-ene-3,17-dione
19-Hydroxyandrost-4-ene-3,17-dione
19-Hydroxyandrostenedione
19-hydroxyandrostenedione

bigg.metabolite:and19one
biggM:and19one
vmhM:and19one
vmhmetabolite:and19one
XGUHPTGEXRHMQQ-CXOXHQNKSA-N 		19-Hydroxyandrost-4-Ene-3,17-Dione
hmdb:HMDB0003955
XGUHPTGEXRHMQQ-BGJMDTOESA-N 		19-Hydroxyandrost-4-ene-3,17-dione
(1S,2S,10R,11S,15S)-2-(hydroxymethyl)-15-methyltetracyclo[8.7.0.0²,⁷.0¹¹,¹⁵]heptadec-6-ene-5,14-dione
19-HAED
19-Hydroxy-4-androstene-3,17-dione
19-Hydroxy-4-androstene-3,17-dione, 18O-labeled
19-Hydroxyandrostenedione
19-haed

kegg.compound:C05290
keggC:C05290
XGUHPTGEXRHMQQ-BGJMDTOESA-N 		19-Hydroxyandrost-4-ene-3,17-dione
19-Hydroxyandrostenedione

seed.compound:cpd03137
seedM:cpd03137
XGUHPTGEXRHMQQ-BGJMDTOESA-N 		19-Hydroxyandrostenedione
19-Hydroxyandrost-4-ene-3,17-dione
19-hydroxyandro-4-stene-3,17-dione
19-hydroxyandrostenedione

SLM:000597829
slm:000597829
XGUHPTGEXRHMQQ-BGJMDTOESA-N 		19-hydroxyandrost-4-ene-3,17-dione

lipidmaps:LMST02020067
lipidmapsM:LMST02020067
XGUHPTGEXRHMQQ-BGJMDTOESA-N 		19-hydroxyandrost-4-ene-3,17-dione
O3
ST 19:3

metacyc.compound:CPD66-26
metacycM:CPD66-26
XGUHPTGEXRHMQQ-BGJMDTOESA-N 		19-hydroxyandrostenedione
19-hydroxyandro-4-stene-3,17-dione

hmdb:HMDB03955
chebi:19178
chebi:796
biggM:M_and19one
keggC:M_C05290
seedM:M_cpd03137
vmhM:M_and19one 		secondary/obsolete/fantasy identifier