1-Phenyl-2,3,4,9-tetrahydro-1H-beta-carboline-3-carboxylic acid (CHEBI:172378)

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This entity has been annotated by a third party. If you would like more information added to this entry, please contact ChEBI via email or GitHub.

ChEBI Name	1-Phenyl-2,3,4,9-tetrahydro-1H-beta-carboline-3-carboxylic acid

ChEBI ID	CHEBI:172378

Stars	This entity has been manually annotated by a third party.

Submitter	MetaboLights

Supplier Information	ZINC000095796531

Download	Molfile XML SDF

Formula

C18H16N2O2

Net Charge

Average Mass

292.338

Monoisotopic Mass

292.12118

InChI

InChI=1S/C18H16N2O2/c21-18(22)15-10-13-12-8-4-5-9-14(12)19-17(13)16(20-15)11-6-2-1-3-7-11/h1-9,15-16,19-20H,10H2,(H,21,22)

InChIKey

ZJSUEWDIHUPPRO-UHFFFAOYSA-N

SMILES

OC(=O)C1NC(C=2NC=3C(C2C1)=CC=CC3)C4=CC=CC=C4

Metabolite of Species	Details
Staphylococcus aureus (NCBI:txid1280)	Found in Culture media, conditioned (OMIT:0017487). of strain Staphylococcus aureus subsp. aureus USA300 [NCBI:txid367830] See: MetaboLights Study
Staphylococcus aureus (NCBI:txid1280)	Found in Culture media, conditioned (OMIT:0017487). See: MetaboLights Study
Pseudomonas aeruginosa;Staphylococcus aureus (NCBI:txid1280)	Found in Culture media, conditioned (OMIT:0017487). See: MetaboLights Study
Pseudomonas aeruginosa (NCBI:txid287)	Found in Culture media, conditioned (OMIT:0017487). of strain Pseudomonas aeruginosa UCBPP-PA14 [NCBI:txid208963] See: MetaboLights Study
Pseudomonas aeruginosa (NCBI:txid287)	Found in Culture media, conditioned (OMIT:0017487). See: MetaboLights Study
unidentified (NCBI:txid32644)	Found in Culture media, conditioned (OMIT:0017487). See: MetaboLights Study

Roles Classification
Biological Role(s):	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-Phenyl-2,3,4,9-tetrahydro-1H-beta-carboline-3-carboxylic acid (CHEBI:172378) is a harmala alkaloid (CHEBI:61379)

IUPAC Name

1-phenyl-2,3,4,9-tetrahydro-1H-pyrido[3,4-b]indole-3-carboxylic acid

Registry Number	Type	Source
82789-18-2	CAS Registry Number	ChemIDplus

Last Modified

31 October 2024