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3-Carbamoyl-2-phenylpropionaldehyde

PropertiesImage
MNX_IDMNXM3835 Image of MNXM3835
referencechebi:80586
formulaC10H11NO3
global charge0
mol weight193.202
InChIKeyXUCMSYZLYLONTH-UHFFFAOYSA-N
InChIInChI=1S/C10H11NO3/c11-10(13)14-7-9(6-12)8-4-2-1-3-5-8/h1-6,9H,7H2,(H2,11,13)
SMILESNC(=O)OCC(C=O)C1=CC=CC=C1
MNX internals
InChI (mnx)InChI=1/C10H11NO3/c11-10(13)14-7-9(6-12)8-4-2-1-3-5-8/h1-6,9H,7H2,(H2,11,13)/t9? Image of MNXM3835
SMILES (mnx)[CH:1]1=[CH:2][CH:4]=[C:8]([CH:9]([CH:6]=[O:12])[CH2:7][O:14][C:10](=[NH:11])[OH:13])[CH:5]=[CH:3]1
Parent-child relations graph
Occurences in reactions#reac
in my sandbox 0
in MNXref (generic)5
in models (compartimentalized) 1
Similar chemical compounds in external resources
IdentifierDescription

seed.compound:cpd16396
seedM:cpd16396
CHEBI:80586
chebi:80586
kegg.compound:C16587
keggC:C16587
XUCMSYZLYLONTH-UHFFFAOYSA-N 		3-Carbamoyl-2-phenylpropionaldehyde

vmhM:cmlppaldh
vmhmetabolite:cmlppaldh
XUCMSYZLYLONTH-UHFFFAOYSA-N 		3-Carbamoyl-2-phenylpropionaldehyde
3-(C-hydroxycarbonimidoyloxy)-2-phenylpropanal
hmdb:HMDB0060366
XUCMSYZLYLONTH-UHFFFAOYSA-N 		3-Carbamoyl-2-phenylpropionaldehyde
3-(C-hydroxycarbonimidoyloxy)-2-phenylpropanal
3-C-2-PP

vmhM:cmdlys
vmhmetabolite:cmdlys
XUCMSYZLYLONTH-UHFFFAOYSA-N 		Calmodulin L-lysine

hmdb:HMDB60366
keggC:M_C16587
seedM:M_cpd16396
vmhM:M_cmdlys
vmhM:M_cmlppaldh 		secondary/obsolete/fantasy identifier