CHEBI:231580 - L-phenylalanine-13C6

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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 L-phenylalanine-13C6
ChEBI ID CHEBI:231580
Stars This entity has been manually annotated by a third party.
Submitter Mark Williams
Supplier Information
Download Molfile XML SDF
Formula C3[13C]6H11NO2
Net Charge 0
Average Mass 171.146
Monoisotopic Mass 171.09911
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)/t8-/m0/s1/i1+1,2+1,3+1,4+1,5+1,7+1
InChIKey COLNVLDHVKWLRT-KILZIXFTSA-N
SMILES [13CH]1=[13CH][13CH]=[13C]([13CH]=[13CH]1)C[C@@H](C(=O)O)N
ChEBI Ontology
Outgoing L-phenylalanine-13C6 (CHEBI:231580) is a 13C-modified compound (CHEBI:139357)
IUPAC Name
(2S)-2-amino-3-((1,2,3,4,5,6-13C6)cyclohexatrienyl)propanoic acid