1,2,3,4-tetrahydro-beta-carboline-3-carboxylic acid (CHEBI:91151)

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ChEBI Name	1,2,3,4-tetrahydro-β-carboline-3-carboxylic acid

ChEBI ID	CHEBI:91151

ChEBI ASCII Name	1,2,3,4-tetrahydro-beta-carboline-3-carboxylic acid

Definition	A member of the class of β-carbolines that is 1,2,3,4-tetrahydro-β-carboline substituted at position 3 by a carboxy group.

Stars	This entity has been manually annotated by the ChEBI Team.

Supplier Information

Download	Molfile XML SDF

Formula

C12H12N2O2

Net Charge

Average Mass

216.236

Monoisotopic Mass

216.08988

InChI

InChI=1S/C12H12N2O2/c15-12(16)10-5-8-7-3-1-2-4-9(7)14-11(8)6-13-10/h1-4,10,13-14H,5-6H2,(H,15,16)

InChIKey

FSNCEEGOMTYXKY-UHFFFAOYSA-N

SMILES

C12=CC=CC=C1NC3=C2CC(NC3)C(O)=O

Metabolite of Species	Details
Rattus norvegicus (NCBI:txid10116)	See: PubMed
Citrus limon (NCBI:txid2708)	Found in fruit (BTO:0000486). See: PubMed
Citrus sinensis (NCBI:txid2711)	Found in fruit (BTO:0000486). See: PubMed
Arabidopsis thaliana (NCBI:txid3702)	Found in root (BTO:0001188). See: PubMed
Arabidopsis thaliana (NCBI:txid3702)	Found in root (BTO:0001188). See: MetaboLights Study
Citrus x paradisi (NCBI:txid37656)	Found in fruit (BTO:0000486). See: PubMed
Citrus reticulata (NCBI:txid85571)	Found in fruit (BTO:0000486). See: PubMed
Homo sapiens (NCBI:txid9606)	Found in urine (BTO:0001419). See: PubMed

Roles Classification
Chemical Role(s):	Bronsted base A molecular entity capable of accepting a hydron from a donor (Bronsted acid). (via organic amino compound ) Bronsted acid A molecular entity capable of donating a hydron to an acceptor (Bronsted base). (via oxoacid )

Biological Role(s):	plant metabolite Any eukaryotic metabolite produced during a metabolic reaction in plants, the kingdom that include flowering plants, conifers and other gymnosperms. rat metabolite Any mammalian metabolite produced during a metabolic reaction in rat (Rattus norvegicus). human urinary metabolite Any metabolite (endogenous or exogenous) found in human urine samples. human xenobiotic metabolite Any human metabolite produced by metabolism of a xenobiotic compound in humans. metabolite Any intermediate or product resulting from metabolism. The term 'metabolite' subsumes the classes commonly known as primary and secondary metabolites. (via alkaloid )

ChEBI Ontology
Outgoing	1,2,3,4-tetrahydro-β-carboline-3-carboxylic acid (CHEBI:91151) has role human urinary metabolite (CHEBI:84087) 1,2,3,4-tetrahydro-β-carboline-3-carboxylic acid (CHEBI:91151) has role human xenobiotic metabolite (CHEBI:76967) 1,2,3,4-tetrahydro-β-carboline-3-carboxylic acid (CHEBI:91151) has role plant metabolite (CHEBI:76924) 1,2,3,4-tetrahydro-β-carboline-3-carboxylic acid (CHEBI:91151) has role rat metabolite (CHEBI:86264) 1,2,3,4-tetrahydro-β-carboline-3-carboxylic acid (CHEBI:91151) is a α-amino acid (CHEBI:33704) 1,2,3,4-tetrahydro-β-carboline-3-carboxylic acid (CHEBI:91151) is a β-carboline alkaloid (CHEBI:83325) 1,2,3,4-tetrahydro-β-carboline-3-carboxylic acid (CHEBI:91151) is a aromatic amino acid (CHEBI:33856)

IUPAC Name

2,3,4,9-tetrahydro-1H-β-carboline-3-carboxylic acid

Synonyms	Sources
1,2,3,4-Tetrahydro-beta-carboline-3-carboxylic acid	ChemIDplus
3-Carboxy-1,2,3,4-tetrahydro-2-carboline	ChEBI
CCRIS 6486	ChemIDplus
NSC 96912	ChemIDplus

Last Modified

05 July 2016