CHEBI:156470 - tetrahydropentoxyline

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ChEBI Name tetrahydropentoxyline
ChEBI ID CHEBI:156470
Definition A member of the class of β-carbolines that is 2,3,4,9-tetrahydro-1H-β-carboline in which a hydrogen at positions 1 and 3 have been replaced by a (5S)-D-arabinityl and carboxy groups, respectively. It is a metabolite found in human urine.
Stars This entity has been manually annotated by the ChEBI Team.
Submitter Gscorreia
Supplier Information
Download Molfile XML SDF
Formula C17H22N2O7
Net Charge 0
Average Mass 366.370
Monoisotopic Mass 366.14270
InChI InChI=1S/C17H22N2O7/c20-6-11(21)14(22)16(24)15(23)13-12-8(5-10(19-13)17(25)26)7-3-1-2-4-9(7)18-12/h1-4,10-11,13-16,18-24H,5-6H2,(H,25,26)/t10?,11-,13?,14+,15+,16+/m1/s1
InChIKey LCHFAYIGHOVWSA-LEDUIRAGSA-N
SMILES OC[C@@H](O)[C@H](O)[C@H](O)[C@@H](O)C1NC(CC2=C1NC1=C2C=CC=C1)C(O)=O
Metabolite of Species Details
Eudistoma (NCBI:txid286195) See: PubMed
Homo sapiens (NCBI:txid9606) Found in urine (BTO:0001419). See: PubMed
Roles Classification
Chemical Role(s): Bronsted acid
A molecular entity capable of donating a hydron to an acceptor (Bronsted base).
(via oxoacid )
Biological Role(s): animal metabolite
Any eukaryotic metabolite produced during a metabolic reaction in animals that include diverse creatures from sponges, insects to mammals.
human urinary metabolite
Any metabolite (endogenous or exogenous) found in human urine samples.
View more via ChEBI Ontology
ChEBI Ontology
Outgoing tetrahydropentoxyline (CHEBI:156470) has role animal metabolite (CHEBI:75767)
tetrahydropentoxyline (CHEBI:156470) has role human urinary metabolite (CHEBI:84087)
tetrahydropentoxyline (CHEBI:156470) is a β-carbolines (CHEBI:60834)
tetrahydropentoxyline (CHEBI:156470) is a monocarboxylic acid (CHEBI:25384)
tetrahydropentoxyline (CHEBI:156470) is a pentitol derivative (CHEBI:63434)
IUPAC Name
(5S)-5-C-(3-carboxy-2,3,4,9-tetrahydro-1H-β-carbolin-1-yl)-D-arabinitol
Synonym Source
1-[(1S,2R,3S,4R)-1,2,3,4,5-pentahydroxypentyl]-2,3,4,9-tetrahydro-1H-β-carboline-3-carboxylic acid IUPAC
Manual Xrefs Databases
FDB001280 FooDB
HMDB0029992 HMDB
View more database links
Registry Number Type Source
154204-09-8 CAS Registry Number ChemIDplus
Citations Waiting for Citations Types Sources
10346975 PubMed citation Europe PMC
21627078 PubMed citation Europe PMC
31188566 PubMed citation Europe PMC
8206887 PubMed citation Europe PMC
Last Modified
07 September 2020