CHEBI:15874 - N2-malonyl-D-tryptophan

Main ChEBI Ontology Automatic Xrefs Reactions Pathways Models
ChEBI Name N2-malonyl-D-tryptophan
ChEBI ID CHEBI:15874
ChEBI ASCII Name N(2)-malonyl-D-tryptophan
Stars This entity has been manually annotated by the ChEBI Team.
Secondary ChEBI IDs CHEBI:7371, CHEBI:21817, CHEBI:12636
Supplier Information
Download Molfile XML SDF
Formula C14H14N2O5
Net Charge 0
Average Mass 290.27144
Monoisotopic Mass 290.09027
InChI InChI=1S/C14H14N2O5/c17-12(6-13(18)19)16-11(14(20)21)5-8-7-15-10-4-2-1-3-9(8)10/h1-4,7,11,15H,5-6H2,(H,16,17)(H,18,19)(H,20,21)/t11-/m1/s1
InChIKey OVEAWSPZRGBTSS-LLVKDONJSA-N
SMILES OC(=O)CC(=O)N[C@H](Cc1c[nH]c2ccccc12)C(O)=O
ChEBI Ontology
Outgoing N2-malonyl-D-tryptophan (CHEBI:15874) is a D-tryptophan derivative (CHEBI:47997)
N2-malonyl-D-tryptophan (CHEBI:15874) is conjugate acid of N2-(carboxylatoacetyl)-D-tryptophanate(2−) (CHEBI:57549)
Incoming N2-(carboxylatoacetyl)-D-tryptophanate(2−) (CHEBI:57549) is conjugate base of N2-malonyl-D-tryptophan (CHEBI:15874)
IUPAC Names
(2R)-2-[(carboxyacetyl)amino]-3-(1H-indol-3-yl)propanoic acid
N-(carboxyacetyl)-D-tryptophan
Synonym Source
N2-Malonyl-D-tryptophan KEGG COMPOUND
Manual Xrefs Databases
C00000118 KNApSAcK
C03414 KEGG COMPOUND
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Last Modified
28 July 2014