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16alpha-hydroxyestrone

PropertiesImage
MNX_IDMNXM3794 Image of MNXM3794
referencechebi:776
formulaC18H22O3
global charge0
mol weight286.371
InChIKeyWPOCIZJTELRQMF-QFXBJFAPSA-N
InChIInChI=1S/C18H22O3/c1-18-7-6-13-12-5-3-11(19)8-10(12)2-4-14(13)15(18)9-16(20)17(18)21/h3,5,8,13-16,19-20H,2,4,6-7,9H2,1H3/t13-,14-,15+,16-,18+/m1/s1
SMILESC[C@]12CC[C@@H]3C4=C(C=C(O)C=C4)CC[C@H]3[C@@H]1C[C@@H](O)C2=O
MNX internals
InChI (mnx)InChI=1/C18H22O3/c1-18-7-6-13-12-5-3-11(19)8-10(12)2-4-14(13)15(18)9-16(20)17(18)21/h3,5,8,13-16,19-20H,2,4,6-7,9H2,1H3/t13-,14-,15+,16-,18+/m1/s1 Image of MNXM3794
SMILES (mnx)[CH3:1][C@:18]12[CH2:7][CH2:6][C@@H:13]3[C:12]4=[CH:5][CH:3]=[C:11]([OH:19])[CH:8]=[C:10]4[CH2:2][CH2:4][C@H:14]3[C@@H:15]1[CH2:9][C@@H:16]([OH:20])[C:17]2=[O:21]
Parent-child relations graph
Occurences in reactions#reac
in my sandbox 0
in MNXref (generic)7
in models (compartimentalized) 8
Similar chemical compounds in external resources
IdentifierDescription

CHEBI:776
chebi:776
WPOCIZJTELRQMF-QFXBJFAPSA-N 		16alpha-hydroxyestrone
16 alpha OHE
16alpha-Hydroxyestrone
16alpha-OHE
16alpha-OHE1
3,16alpha-Dihydroxyestra-1,3,5(10)-trien-17-one
3,16alpha-dihydroxy-1,3,5(10)-estratrien-17-one
3,16alpha-dihydroxyestra-1,3,5(10)-trien-17-one
estra-1,3,5(10)-triene-3,16alpha-diol-17-one
hmdb:HMDB0000335
WPOCIZJTELRQMF-QFXBJFAPSA-N 		16a-Hydroxyestrone
(1S,10R,11S,13R,15S)-5,13-dihydroxy-15-methyltetracyclo[8.7.0.0^{2,7}.0^{11,15}]heptadeca-2(7),3,5-trien-14-one
16 a OHE
16 alpha OHE
16 alpha ohe
16 alpha-Hydroxyestrone
16 beta-Hydroxyestrone
16-Hydroxyestrone
16-alpha-Hydroxyestrone
3,16a-Dihydroxy-1,3,5(10)-estratrien-17-one
3,16a-Dihydroxy-estra-1,3,5(10)-trien-17-one
3,16a-Dihydroxyestra-1,3,5(10)-trien-17-one
3,16alpha-Dihydroxy-1,3,5(10)-estratrien-17-one
3,16alpha-Dihydroxyestra-1,3,5(10)-trien-17-one
3,16alpha-dihydroxy-1,3,5(10)-estratrien-17-one
3,16alpha-dihydroxyestra-1,3,5(10)-trien-17-one
Estra-1,3,5(10)-triene-3,16a-diol-17-one
Estra-1,3,5(10)-triene-3,16alpha-diol-17-one

bigg.metabolite:C05300
biggM:C05300
seed.compound:cpd03145
seedM:cpd03145
kegg.compound:C05300
keggC:C05300
WPOCIZJTELRQMF-QFXBJFAPSA-N 		16alpha-Hydroxyestrone

vmhM:C05300
vmhmetabolite:C05300
WPOCIZJTELRQMF-QFXBJFAPSA-N 		16alpha-Hydroxyestrone
(1S,10R,11S,13R,15S)-5,13-dihydroxy-15-methyltetracyclo[8.7.0.0^{2,7}.0^{11,15}]heptadeca-2(7),3,5-trien-14-one

SLM:000485703
slm:000485703
WPOCIZJTELRQMF-QFXBJFAPSA-N 		16alpha-hydroxyestrone

lipidmaps:LMST02010041
lipidmapsM:LMST02010041
WPOCIZJTELRQMF-QFXBJFAPSA-N 		16alpha-hydroxyestrone
1.16a-Hydroxyestrone
3,16alpha-dihydroxy-1,3,5(10)-estratrien-17-one
O3
ST 18:4

hmdb:HMDB00335
chebi:60497
biggM:M_C05300
keggC:M_C05300
seedM:M_cpd03145
vmhM:M_C05300 		secondary/obsolete/fantasy identifier