CHEBI:178064 - Phenylalanine-13C9

Main ChEBI Ontology Automatic Xrefs Reactions Pathways Models
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 Phenylalanine-13C9
ChEBI ID CHEBI:178064
Stars This entity has been manually annotated by a third party.
Submitter MetaboLights
Supplier Information
Download Molfile XML SDF
Formula [13C]9H11NO2
Net Charge 0
Average Mass 174.123
Monoisotopic Mass 174.10917
InChI InChI=1S/C9H11NO2/c10-8(9(11)12)6-7-4-2-1-3-5-7/h1-5,8H,6,10H2,(H,11,12)/i1+1,2+1,3+1,4+1,5+1,6+1,7+1,8+1,9+1
InChIKey COLNVLDHVKWLRT-RIQGLZQJSA-N
SMILES O[13C](=O)[13CH](N)[13CH2][13C]1=[13CH][13CH]=[13CH][13CH]=[13CH]1
Metabolite of Species Details
Homo sapiens (NCBI:txid9606) Found in blood plasma (BTO:0000131). See: MetaboLights Study
ChEBI Ontology
Outgoing Phenylalanine-13C9 (CHEBI:178064) is a 13C-modified compound (CHEBI:139357)
Phenylalanine-13C9 (CHEBI:178064) is a phenylalanine derivative (CHEBI:25985)
IUPAC Name
(2S)-2-amino-3-((1,2,3,4,5,6-13C6)cyclohexatrienyl)(1,2,3-13C3)propanoic acid
Manual Xref Database
48244805 ChemSpider
View more database links
Last Modified
30 August 2023