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CHEBI:1156 - 2-hydroxyestrone

ChEBI IDCHEBI:1156
ChEBI Name2-hydroxyestrone
Stars
DefinitionA 2-hydroxy steroid that is estrone substituted by a hydroxy group at position 2.
Last Modified8 October 2018
DownloadsMolfile
FormulaC18H22O3
Net Charge0
Average Mass286.371
Monoisotopic Mass286.15689
SMILES[H][C@@]12CCC(=O)[C@@]1(C)CC[C@]1([H])c3cc(O)c(O)cc3CC[C@@]21[H]
InChIInChI=1S/C18H22O3/c1-18-7-6-11-12(14(18)4-5-17(18)21)3-2-10-8-15(19)16(20)9-13(10)11/h8-9,11-12,14,19-20H,2-7H2,1H3/t11-,12+,14-,18-/m0/s1
InChIKeySWINWPBPEKHUOD-JPVZDGGYSA-N
Species of MetaboliteComponentSourceComments
Homo sapiens (ncbitaxon:9606) - DOI (10.1038/nbt.2488)
Roles Classification
Biological Role:
human metabolite  Any mammalian metabolite produced during a metabolic reaction in humans (Homo sapiens).
ChEBI Ontology
Outgoing Relation(s)
2-hydroxyestrone (CHEBI:1156) has functional parent estrone (CHEBI:17263)
2-hydroxyestrone (CHEBI:1156) has role human metabolite (CHEBI:77746)
2-hydroxyestrone (CHEBI:1156) is a 2-hydroxy steroid (CHEBI:36857)
2-hydroxyestrone (CHEBI:1156) is a catechols (CHEBI:33566)
Incoming Relation(s)
2-hydroxy-3-O-methyl estrone (CHEBI:136980) has functional parent 2-hydroxyestrone (CHEBI:1156)
2-hydroxyestrone 2-O-(β-D-glucuronide) (CHEBI:137957) has functional parent 2-hydroxyestrone (CHEBI:1156)
2-hydroxyestrone 3-O-(β-D-glucuronide) (CHEBI:137924) has functional parent 2-hydroxyestrone (CHEBI:1156)
estra-1(10),4-diene-2,3,17-trione (CHEBI:87262) has functional parent 2-hydroxyestrone (CHEBI:1156)
IUPAC Name 
2,3-dihydroxyestra-1,3,5(10)-trien-17-one
Synonym  Source
2-HydroxyestroneKEGG COMPOUND
UniProt Name  Source
2-hydroxyestroneUniProt
Manual XrefsDatabases
C05298KEGG COMPOUND
HMDB0000343HMDB
LMST02010032LIPID MAPS
Registry NumbersSources
Reaxys:2221833Reaxys
CAS:362-06-1KEGG COMPOUND
CAS:362-06-1ChemIDplus
Citations