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CHEBI:89379 - γ-CEHC

ChEBI IDCHEBI:89379
ChEBI Nameγ-CEHC
Stars
ASCII Namegamma-CEHC
Definitionis a metabolite of vitamin E.
Last Modified17 December 2019
DownloadsMolfile
FormulaC15H20O4
Net Charge0
Average Mass264.321
Monoisotopic Mass264.13616
SMILESCc1c(O)cc2c(c1C)OC(C)(CCC(=O)O)CC2
InChIInChI=1S/C15H20O4/c1-9-10(2)14-11(8-12(9)16)4-6-15(3,19-14)7-5-13(17)18/h8,16H,4-7H2,1-3H3,(H,17,18)
InChIKeyVMJQLPNCUPGMNQ-UHFFFAOYSA-N
Species of MetaboliteComponentSourceComments
Homo sapiens (ncbitaxon:9606) blood plasma (BTO_0000131) PubMed (11841923)
Roles Classification
Chemical Role:
antioxidant  A substance that opposes oxidation or inhibits reactions brought about by dioxygen or peroxides.
ChEBI Ontology
Outgoing Relation(s)
γ-CEHC (CHEBI:89379) has role antioxidant (CHEBI:22586)
γ-CEHC (CHEBI:89379) is a benzopyran (CHEBI:22727)
Incoming Relation(s)
gamma-CEHC sulfate (CHEBI:232996) has functional parent γ-CEHC (CHEBI:89379)
gamma-CEHC taurine (CHEBI:233525) has functional parent γ-CEHC (CHEBI:89379)
γ-CEHC β-glucuronide (CHEBI:133148) has functional parent γ-CEHC (CHEBI:89379)
IUPAC Name 
3-(6-hydroxy-2,7,8-trimethyl-3,4-dihydro-2H-chromen-2-yl)propanoic acid
Synonyms  Source
3-(2,7,8-trimethyl-3,4-dihydro-2H-1-benzopyran-2-yl)propanoic acidHMDB
gamma-CEHCHMDB
3-(6-hydroxy-2,7,8-trimethyl-3,4-dihydro-2H-1-benzopyran-2-yl)propanoic acidIUPAC
3,4-dihydro-6-hydroxy-2,7,8-trimethyl-2H-1-benzopyran-2-propanoic acidChEBI
3-(2,7,8-trimethyl-chroman-2-yl)-propionic acidChEBI
2,7,8-trimethyl-2-(β-carboxyethyl)-6-hydroxychromaneChemIDplus
Manual XrefsDatabases
HMDB0001931HMDB
FDB022748FooDB
EP1199075Patent
Registry NumbersSources
CAS:178167-77-6ChemIDplus
Citations