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

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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 0
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 )
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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
Manual Xref Database
132838 ChemSpider
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Registry Number Type Source
82789-18-2 CAS Registry Number ChemIDplus
Last Modified
31 October 2024