Search MNXref
 Feedback

9alpha-hydroxy-androst-4-ene-3,17-dione

PropertiesImage
MNX_IDMNXM10481 Image of MNXM10481
referencechebi:85549
formulaC19H26O3
global charge0
mol weight302.414
InChIKeySNMVJSSWZSJOGL-PLOWYNNNSA-N
InChIInChI=1S/C19H26O3/c1-17-9-10-19(22)15(14(17)5-6-16(17)21)4-3-12-11-13(20)7-8-18(12,19)2/h11,14-15,22H,3-10H2,1-2H3/t14-,15-,17-,18-,19+/m0/s1
SMILESC[C@]12CCC(=O)C=C1CC[C@H]1[C@@H]3CCC(=O)[C@@]3(C)CC[C@@]12O
MNX internals
InChI (mnx)InChI=1/C19H26O3/c1-17-9-10-19(22)15(14(17)5-6-16(17)21)4-3-12-11-13(20)7-8-18(12,19)2/h11,14-15,22H,3-10H2,1-2H3/t14-,15-,17-,18-,19+/m0/s1 Image of MNXM10481
SMILES (mnx)[CH3:1][C@:17]12[CH2:9][CH2:10][C@@:19]3([OH:22])[C@@H:15]([CH2:4][CH2:3][C:12]4=[CH:11][C:13](=[O:20])[CH2:7][CH2:8][C@@:18]43[CH3:2])[C@@H:14]1[CH2:5][CH2:6][C:16]2=[O:21]
Parent-child relations graph
Occurences in reactions#reac
in my sandbox 0
in MNXref (generic)1
in models (compartimentalized) 1
Similar chemical compounds in external resources
IdentifierDescription

CHEBI:85549
chebi:85549
SNMVJSSWZSJOGL-PLOWYNNNSA-N 		9alpha-hydroxy-androst-4-ene-3,17-dione
9-OH-AD
9-hydroxyandrost-4-ene-3,17-dione
9alpha-hydroxy-4-androstene-3,17-dione
9alpha-hydroxyandrost-4-en-3,17-dione
9alpha-hydroxyandrost-4-ene-3,17-dione
9alpha-hydroxyandrostenedione

envipath:...c861f1fc852a
envipathM:...c861f1fc852a
SNMVJSSWZSJOGL-PLOWYNNNSA-N 		9alpha-Hydroxy-4-androstene-3,17-dione

seed.compound:cpd24007
seedM:cpd24007
SNMVJSSWZSJOGL-PLOWYNNNSA-N 		9alpha-hydroxy-4-androstene-3,17-dione
9alpha-hydroxy-androst-4-en-3,17-dione
9alpha-hydroxy-androstenedione

metacyc.compound:CPD-13706
metacycM:CPD-13706
SNMVJSSWZSJOGL-PLOWYNNNSA-N 		9alpha-hydroxy-androst-4-en-3,17-dione
9alpha-hydroxy-4-androstene-3,17-dione
9alpha-hydroxy-androstenedione

SLM:000501283
slm:000501283
SNMVJSSWZSJOGL-PLOWYNNNSA-N 		9alpha-hydroxy-androst-4-ene-3,17-dione

seedM:M_cpd24007 		secondary/obsolete/fantasy identifier