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estrone

MNXM734123 is deprecated and replaced by MNXM734122
PropertiesImage
MNX_IDMNXM734122 Image of MNXM734122
referencechebi:17263
formulaC18H22O2
global charge0
mol weight270.372
InChIKeyDNXHEGUUPJUMQT-CBZIJGRNSA-N
InChIInChI=1S/C18H22O2/c1-18-9-8-14-13-5-3-12(19)10-11(13)2-4-15(14)16(18)6-7-17(18)20/h3,5,10,14-16,19H,2,4,6-9H2,1H3/t14-,15-,16+,18+/m1/s1
SMILESC[C@]12CC[C@@H]3C4=C(C=C(O)C=C4)CC[C@H]3[C@@H]1CCC2=O
MNX internals
InChI (mnx)InChI=1/C18H22O2/c1-18-9-8-14-13-5-3-12(19)10-11(13)2-4-15(14)16(18)6-7-17(18)20/h3,5,10,14-16,19H,2,4,6-9H2,1H3/t14-,15-,16+,18+/m1/s1 Image of MNXM734122
SMILES (mnx)[CH3:1][C@:18]12[CH2:9][CH2:8][C@@H:14]3[C:13]4=[CH:5][CH:3]=[C:12]([OH:19])[CH:10]=[C:11]4[CH2:2][CH2:4][C@H:15]3[C@@H:16]1[CH2:6][CH2:7][C:17]2=[O:20]
Parent-child relations graph
Occurences in reactions#reac
in my sandbox 0
in MNXref (generic)40
in models (compartimentalized) 34
Similar chemical compounds in external resources
IdentifierDescription

reactome:R-ALL-176575
reactomeM:R-ALL-176575
reactome:R-ALL-193066
reactomeM:R-ALL-193066
reactome:R-ALL-5696848
reactomeM:R-ALL-5696848
reactome:R-ALL-9008239
reactomeM:R-ALL-9008239
CHEBI:17263
chebi:17263
DNXHEGUUPJUMQT-CBZIJGRNSA-N 		estrone
3-Hydroxy-1,3,5(10)-estratrien-17-one
3-hydroxyestra-1,3,5(10)-trien-17-one
Estrone
follicular hormone
folliculin
oestrone

kegg.drug:D00067
keggD:D00067
DNXHEGUUPJUMQT-CBZIJGRNSA-N 		Estrone (JAN/USP/INN)
Estrone (TN)

bigg.metabolite:estrone
biggM:estrone
DNXHEGUUPJUMQT-CBZIJGRNSA-N 		Estrone cytosol
hmdb:HMDB0000145
DNXHEGUUPJUMQT-CBZIJGRNSA-N 		Estrone
(+)-Estrone
(1S,10R,11S,15S)-5-hydroxy-15-methyltetracyclo[8.7.0.0^{2,7}.0^{11,15}]heptadeca-2(7),3,5-trien-14-one
1,3,5(10)-Estratrien-3-ol-17-one
3-Hydroxy-1,3,5(10)-estratrien-17-one
3-Hydroxy-17-keto-estra-1,3,5-triene
3-Hydroxyestra-1,3,5(10)-trien-17-one
3-Hydroxyestra-1,3,5(10)-triene-17-one
3-Hydroxyoestra-1,3,5(10)-trien-17-one
D1,3,5(10)-Estratrien-3-ol-17-one
Estrone, (+-)-isomer
Estrone, (8 alpha)-isomer
Estrone, (9 beta)-isomer
Estrovarin
Follicular hormone
Folliculin
Hauck brand OF estrone
Hyrex brand OF estrone
Kestrone
Oestrone
Unigen
Vortech brand OF estrone
Wehgen

sabiork.compound:5103
sabiorkM:5103
kegg.compound:C00468
keggC:C00468
DNXHEGUUPJUMQT-CBZIJGRNSA-N 		Estrone
3-Hydroxy-1,3,5(10)-estratrien-17-one

seed.compound:cpd00362
seedM:cpd00362
DNXHEGUUPJUMQT-CBZIJGRNSA-N 		Estrone
3-Hydroxy-1,3,5(10)-estratrien-17-one
3-hydroxyl-1,3,5(10)-estratien-17-one
estrol
estrone
estrovarin
follicular hormone
folliculin
hydroxyestrones
progynon

lipidmaps:LMST02010004
lipidmapsM:LMST02010004
DNXHEGUUPJUMQT-CBZIJGRNSA-N 		Estrone
3-hydroxy-estra-1,3,5(10)-trien-17-one
O2
ST 18:4

envipath:...da8ff9233659
envipathM:...da8ff9233659
DNXHEGUUPJUMQT-CBZIJGRNSA-N 		compound 0038582

SLM:000001054
slm:000001054
DNXHEGUUPJUMQT-CBZIJGRNSA-N 		estrone

vmhM:estrone
vmhmetabolite:estrone
DNXHEGUUPJUMQT-CBZIJGRNSA-N 		estrone
(1S,10R,11S,15S)-5-hydroxy-15-methyltetracyclo[8.7.0.0^{2,7}.0^{11,15}]heptadeca-2(7),3,5-trien-14-one

metacyc.compound:ESTRONE
metacycM:ESTRONE
DNXHEGUUPJUMQT-CBZIJGRNSA-N 		estrone
3-hydroxyl-1,3,5(10)-estratien-17-one
estrol
estrovarin
follicular hormone
folliculin
hydroxyestrones
progynon

hmdb:HMDB0004449
hmdb:HMDB00145
hmdb:HMDB04449
chebi:14220
chebi:23971
chebi:4870
biggM:M_estrone
keggC:M_C00468
keggD:M_D00067
seedM:M_cpd00362
vmhM:M_estrone 		secondary/obsolete/fantasy identifier