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CHEBI:133148 - γ-CEHC β-glucuronide

ChEBI IDCHEBI:133148
ChEBI Nameγ-CEHC β-glucuronide
Stars
ASCII Namegamma-CEHC beta-glucuronide
DefinitionA member of the class of chromanes that is γ-CEHC in which the phenolic hydrogen is replaced by a β-glucuronosyl residue.
Last Modified25 August 2016
SubmitterSteve
DownloadsMolfile
FormulaC21H28O10
Net Charge0
Average Mass440.445
Monoisotopic Mass440.16825
SMILESCc1c(O[C@@H]2O[C@H](C(=O)O)[C@@H](O)[C@H](O)[C@H]2O)cc2c(c1C)OC(C)(CCC(=O)O)CC2
InChIInChI=1S/C21H28O10/c1-9-10(2)17-11(4-6-21(3,31-17)7-5-13(22)23)8-12(9)29-20-16(26)14(24)15(25)18(30-20)19(27)28/h8,14-16,18,20,24-26H,4-7H2,1-3H3,(H,22,23)(H,27,28)/t14-,15-,16+,18-,20+,21?/m0/s1
InChIKeyNOZSTAZEOBPSBY-LWNJIDTBSA-N
Species of MetaboliteComponentSourceComments
Homo sapiens (ncbitaxon:9606) - PubMed (MED:26317986)
Roles Classification
Chemical Role:
Bronsted acid  A molecular entity capable of donating a hydron to an acceptor (Brønsted base).
Biological Role:
human metabolite  Any mammalian metabolite produced during a metabolic reaction in humans (Homo sapiens).
ChEBI Ontology
Outgoing Relation(s)
γ-CEHC β-glucuronide (CHEBI:133148) has functional parent γ-CEHC (CHEBI:89379)
γ-CEHC β-glucuronide (CHEBI:133148) has role human metabolite (CHEBI:77746)
γ-CEHC β-glucuronide (CHEBI:133148) is a chromanes (CHEBI:23230)
γ-CEHC β-glucuronide (CHEBI:133148) is a dicarboxylic acid (CHEBI:35692)
γ-CEHC β-glucuronide (CHEBI:133148) is a β-D-glucosiduronic acid (CHEBI:15341)
γ-CEHC β-glucuronide (CHEBI:133148) is conjugate acid of γ-CEHC β-glucuronide anion (CHEBI:133149)
Incoming Relation(s)
γ-CEHC β-glucuronide anion (CHEBI:133149) is conjugate base of γ-CEHC β-glucuronide (CHEBI:133148)
IUPAC Name 
2-(2-carboxyethyl)-2,7,8-trimethyl-3,4-dihydro-2H-1-benzopyran-6-yl β-D-glucopyranosiduronic acid
Synonyms  Source
gamma-CEHC glucuronideChEBI
γ-CEHC β-D-glucuronideChEBI
2,7,8-trimethyl-2-(β-carboxyethyl)-6-hydroxychroman β-D-glucuronideChEBI
2,7,8-trimethyl-2-(β-carboxyethyl)-6-hydroxychroman β-glucuronideChEBI
Citations