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(Q32039049)
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English
N-acetyl-N-formyl-5-methoxykynurenamine
chemical compound
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Statements
instance of
type of chemical entity
0 references
subclass of
chemical compound
0 references
mass
264.111006992
dalton
1 reference
based on heuristic
inferred from InChI
chemical formula
C₁₃H₁₆N₂O₄
0 references
canonical SMILES
CC(=O)NCCC(=O)C1=C(C=CC(=C1)OC)NC=O
0 references
Identifiers
InChI
InChI=1S/C13H16N2O4/c1-9(17)14-6-5-13(18)11-7-10(19-2)3-4-12(11)15-8-16/h3-4,7-8H,5-6H2,1-2H3,(H,14,17)(H,15,16)
0 references
InChIKey
JYWNYMJKURVPFH-UHFFFAOYSA-N
0 references
CAS Registry Number
52450-38-1
1 reference
InChIKey
JYWNYMJKURVPFH-UHFFFAOYSA-N
stated in
CAS Common Chemistry
retrieved
9 April 2021
reference URL
https://commonchemistry.cas.org/detail?cas_rn=52450-38-1
PubChem CID
171161
1 reference
matched by identifier from
InChIKey
InChIKey
JYWNYMJKURVPFH-UHFFFAOYSA-N
ChEBI ID
194285
mapping relation type
exact match
1 reference
matched by identifier from
International Chemical Identifier
InChI
InChI=1S/C13H16N2O4/c1-9(17)14-6-5-13(18)11-7-10(19-2)3-4-12(11)15-8-16/h3-4,7-8H,5-6H2,1-2H3,(H,14,17)(H,15,16)
UniChem compound ID
1072521
1 reference
stated in
UniChem
SPLASH
splash10-004r-1941000000-1fd6a7b0aa4a93746dce
0 references
DSSTox substance ID
DTXSID90200451
2 references
stated in
Mapping file of InChIStrings, InChIKeys and DTXSIDs for the EPA CompTox Dashboard
matched by identifier from
InChIKey
InChIKey
JYWNYMJKURVPFH-UHFFFAOYSA-N
DSSTOX compound identifier
DTXCID90122942
0 references
Human Metabolome Database ID
HMDB0004259
2 references
based on heuristic
inferred from InChIKey
matched by identifier from
InChIKey
InChIKey
JYWNYMJKURVPFH-UHFFFAOYSA-N
UNII
S82P8JZ4YJ
1 reference
matched by identifier from
InChIKey
InChIKey
JYWNYMJKURVPFH-UHFFFAOYSA-N
Probes And Drugs ID
PD020498
0 references
KEGG ID
C05642
0 references
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