1-(9H-Pyrido[3,4-b]indol-1-yl)-1,4-butanediol (CHEBI:172497)

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CHEBI:172497 - 1-(9H-Pyrido[3,4-b]indol-1-yl)-1,4-butanediol

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ChEBI ID	CHEBI:172497
ChEBI Name	1-(9H-Pyrido[3,4-b]indol-1-yl)-1,4-butanediol
Stars
Submitter	MetaboLights
Downloads	Molfile

Formula	C15H16N2O2
Net Charge	0
Average Mass	256.305
Monoisotopic Mass	256.12118
SMILES	OCCCC(O)c1nccc2c1nc1ccccc12
InChI	InChI=1S/C15H16N2O2/c18-9-3-6-13(19)15-14-11(7-8-16-15)10-4-1-2-5-12(10)17-14/h1-2,4-5,7-8,13,17-19H,3,6,9H2
InChIKey	SPYBYBYFMPTBMD-UHFFFAOYSA-N

Species of Metabolite	Component	Source	Comments
Homo sapiens (ncbitaxon:9606)	blood plasma (BTO:0000131)	MetaboLights (MTBLS2633)

Roles Classification

Biological Role:

metabolite Any intermediate or product resulting from metabolism. The term 'metabolite' subsumes the classes commonly known as primary and secondary metabolites.

ChEBI Ontology

Outgoing Relation(s)
	1-(9H-Pyrido[3,4-b]indol-1-yl)-1,4-butanediol (CHEBI:172497) is a harmala alkaloid (CHEBI:61379)

IUPAC Name
1-(9H-pyrido[3,4-b]indol-1-yl)butane-1,4-diol

Manual Xrefs	Databases
35013869	ChemSpider
HMDB0035193	HMDB