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16-Oxoandrostenediol

PropertiesImage
MNX_IDMNXM33528 Image of MNXM33528
referencechebi:173191
formulaC19H28O3
global charge0
mol weight304.43
InChIKeyAKRBLZKRYPEVIK-PEMPUTJUSA-N
InChIInChI=1S/C19H28O3/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/h3,12-15,17,20,22H,4-10H2,1-2H3/t12-,13+,14-,15-,17-,18-,19-/m0/s1
SMILESC[C@]12CC[C@H]3[C@@H](CC=C4C[C@@H](O)CC[C@@]43C)[C@@H]1CC(=O)[C@@H]2O
MNX internals
InChI (mnx)InChI=1/C19H28O3/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/h3,12-15,17,20,22H,4-10H2,1-2H3/t12-,13+,14-,15-,17-,18-,19-/m0/s1 Image of MNXM33528
SMILES (mnx)[CH3:1][C@:18]12[CH2:7][CH2:5][C@H:12]([OH:20])[CH2:9][C:11]1=[CH:3][CH2:4][C@@H:13]1[C@@H:14]2[CH2:6][CH2:8][C@@:19]2([CH3:2])[C@H:15]1[CH2:10][C:16](=[O:21])[C@@H:17]2[OH:22]
Parent-child relations graph
Occurences in reactions#reac
in my sandbox 0
in MNXref (generic)0
in models (compartimentalized) 0
Similar chemical compounds in external resources
IdentifierDescription

CHEBI:173191
chebi:173191
AKRBLZKRYPEVIK-PEMPUTJUSA-N 		16-Oxoandrostenediol
(3S,8R,9S,10R,13S,14S,17R)-3,17-dihydroxy-10,13-dimethyl-1,2,3,4,7,8,9,11,12,14,15,17-dodecahydrocyclopenta[a]phenanthren-16-one
hmdb:HMDB0000322
AKRBLZKRYPEVIK-IACDPKRHSA-N 		16-Oxoandrostenediol
(2R,5S,14R,15S)-5,14-dihydroxy-2,15-dimethyltetracyclo[8.7.0.0²,⁷.0¹¹,¹⁵]heptadec-7-en-13-one
(3b,17b)-3b,17b-Dihydroxyandrost-5-en-16-one
3b,17b-Dihydroxy-androst-5-en-16-one
3b,17b-Dihydroxyandrost-5-en-16-one
3beta,17beta-Dihydroxy-androst-5-en-16-one
5-Androsten-3b,17b-diol-16-one
5-androsten-3b,17b-diol-16-one
Androst-5-ene-3b,17b-diol-16-one

lipidmaps:LMST02020088
lipidmapsM:LMST02020088
AKRBLZKRYPEVIK-PEMPUTJUSA-N 		16-Oxoandrostenediol
O3
ST 19:2

hmdb:HMDB00322 		secondary/obsolete/fantasy identifier