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estrone

MNXM327 is deprecated and here replaced by MNXM734122
!!! Alternative mappings exist !!!

Properties

Image

Occurences in reactions

MNX_ID

MNXM734122

	#reac
in my sandbox	0
in MNXref (generic)	38
in models (compartimentalized)	38

formula

C₁₈H₂₂O₂

charge

mass

270.16198

reference

chebi:17263

InChIKey

DNXHEGUUPJUMQT-CBZIJGRNSA-N

InChI

InChI=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

SMILES

C[C@]12CC[C@@H]3c4ccc(O)cc4CC[C@H]3[C@@H]1CCC2=O

Parent-child relations graph

Deprecated MNXref IDs graph

Similar chemical compounds in external resources
Identifier	Description
reactome:R-ALL-176575 reactomeM:R-ALL-176575 reactome:R-ALL-193066 reactomeM:R-ALL-193066 CHEBI:17263 chebi:17263	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	Estrone (JAN/USP/INN) Estrone (TN)
bigg.metabolite:estrone biggM:estrone	Estrone cytosol
hmdb:HMDB0000145	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	Estrone 3-Hydroxy-1,3,5(10)-estratrien-17-one
seed.compound:cpd00362 seedM:cpd00362	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	Estrone 3-hydroxy-estra-1,3,5(10)-trien-17-one O2 ST 18:4
envipath:...da8ff9233659 envipathM:...da8ff9233659	compound 0038582
SLM:000001054 slm:000001054	estrone
metacyc.compound:ESTRONE metacycM:ESTRONE	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	secondary/obsolete/fantasy identifier