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L-Agaridoxin

PropertiesImage
MNX_IDMNXM127134 Image of MNXM127134
referencechebi:168667
formulaC11H14N2O5
global charge0
mol weight254.242
InChIKeyHJLNKWYSKFDHDG-UHFFFAOYSA-N
InChIInChI=1S/C11H14N2O5/c12-7(11(17)18)2-4-10(16)13-6-1-3-8(14)9(15)5-6/h1,3,5,7,14-15H,2,4,12H2,(H,13,16)(H,17,18)
SMILESNC(CCC(=O)NC1=CC(O)=C(O)C=C1)C(=O)O
MNX internals
InChI (mnx)InChI=1/C11H14N2O5/c12-7(11(17)18)2-4-10(16)13-6-1-3-8(14)9(15)5-6/h1,3,5,7,14-15H,2,4,12H2,(H,13,16)(H,17,18)/t7? Image of MNXM127134
SMILES (mnx)[CH:1]1=[CH:3][C:8]([OH:14])=[C:9]([OH:15])[CH:5]=[C:6]1[N:13]=[C:10]([CH2:4][CH2:2][CH:7]([C:11](=[O:17])[OH:18])[NH2:12])[OH:16]
Parent-child relations graph
Occurences in reactions#reac
in my sandbox 0
in MNXref (generic)0
in models (compartimentalized) 0
Similar chemical compounds in external resources
IdentifierDescription

CHEBI:168667
chebi:168667
HJLNKWYSKFDHDG-UHFFFAOYSA-N
L-Agaridoxin
2-amino-5-(3,4-dihydroxyanilino)-5-oxopentanoic acid
hmdb:HMDB0029445
HJLNKWYSKFDHDG-UHFFFAOYSA-N
L-Agaridoxin
2-Amino-4-[(3,4-dihydroxyphenyl)-C-hydroxycarbonimidoyl]butanoate
2-amino-4-[(3,4-dihydroxyphenyl)carbamoyl]butanoic acid

hmdb:HMDB29445
secondary/obsolete/fantasy identifier