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N-Malonyltryptophan
group of stereoisomers with the chemical formula C₁₄H₁₄N₂O₅
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Statements
instance of
group of stereoisomers
0 references
subclass of
chemical compound
0 references
mass
290.090271548
dalton
1 reference
based on heuristic
inferred from SMILES
chemical formula
C₁₄H₁₄N₂O₅
0 references
canonical SMILES
O=C(O)CC(=O)NC(Cc1c[nH]c2ccccc12)C(=O)O
0 references
found in taxon
tomato
1 reference
stated in
Formation of N-malonyl-l-tryptophan in water-stressed tomato leaves
Ephedra distachya
1 reference
stated in
N-acylamino acids from Ephedra distachya cultures
Identifiers
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)
0 references
InChIKey
OVEAWSPZRGBTSS-UHFFFAOYSA-N
0 references
PubChem CID
5199636
2 references
stated in
PubChem
retrieved
2 January 2023
based on heuristic
inferred from InChIKey
matched by identifier from
InChIKey
InChIKey
OVEAWSPZRGBTSS-UHFFFAOYSA-N
ChEBI ID
142268
mapping relation type
exact match
2 references
stated in
ChEBI release 2021-03-01
matched by identifier from
International Chemical Identifier
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)
UniChem compound ID
32009380
1 reference
stated in
UniChem
MassBank accession ID
MSBNK-RIKEN-PR309405
1 reference
InChIKey
OVEAWSPZRGBTSS-UHFFFAOYSA-N
stated in
MassBank/MassBank-data: release version 2022.06 to wikidata
retrieved
4 September 2022
based on heuristic
InChIKey match
MSBNK-RIKEN-PR311144
1 reference
InChIKey
OVEAWSPZRGBTSS-UHFFFAOYSA-N
stated in
MassBank/MassBank-data: release version 2022.06 to wikidata
retrieved
4 September 2022
based on heuristic
InChIKey match
Human Metabolome Database ID
HMDB0039500
2 references
based on heuristic
inferred from InChIKey
matched by identifier from
InChIKey
InChIKey
OVEAWSPZRGBTSS-UHFFFAOYSA-N
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