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N(3)-fumaroyl-(S)-2,3-diaminopropanoate

PropertiesImage
MNX_IDMNXM64057 Image of MNXM64057
referencechebi:84330
formulaC7H9N2O5
global charge-1
mol weight201.158
InChIKeyFYPSRFSOOLJBNE-QPHDTYRISA-M
InChIInChI=1S/C7H10N2O5/c8-4(7(13)14)3-9-5(10)1-2-6(11)12/h1-2,4H,3,8H2,(H,9,10)(H,11,12)(H,13,14)/p-1/b2-1+/t4-/m0/s1
SMILES[NH3+][C@@H](CNC(=O)/C=C/C(=O)[O-])C(=O)[O-]
MNX internals
InChI (mnx)InChI=1/C7H10N2O5/c8-4(7(13)14)3-9-5(10)1-2-6(11)12/h1-2,4H,3,8H2,(H,9,10)(H,11,12)(H,13,14)/b2-1+/t4-/m0/s1 Image of MNXM64057
SMILES (mnx)[CH:1](=[CH:2]/[C:6](=[O:11])[OH:12])\[C:5](=[N:9]\[CH2:3][C@@H:4]([C:7](=[O:13])[OH:14])[NH2:8])[OH:10]
Parent-child relations graph
Occurences in reactions#reac
in my sandbox 0
in MNXref (generic)2
in models (compartimentalized) 0
Similar chemical compounds in external resources
IdentifierDescription

CHEBI:84330
chebi:84330
FYPSRFSOOLJBNE-QPHDTYRISA-M 		N(3)-fumaroyl-(S)-2,3-diaminopropanoate
(2E)-4-[[(2S)-2-amino-2-carboxyethyl]amino]-4-oxobut-2-enoate
(2E)-4-{[(2S)-2-azaniumyl-2-carboxylatoethyl]amino}-4-oxobut-2-enoate

CHEBI:85346
chebi:85346
FYPSRFSOOLJBNE-QPHDTYRISA-N 		N(3)-fumaroyl-(S)-2,3-diaminopropanoic acid
(2E)-4-{[(2S)-2-amino-2-carboxyethyl]amino}-4-oxobut-2-enoic acid
N(3)-fumaroyl-L-2,3-diaminopropanoic acid

metacyc.compound:CPD0-1237
metacycM:CPD0-1237
FYPSRFSOOLJBNE-QPHDTYRISA-M 		N-3-fumaroyl-L-2,3-diaminopropanoate
N-3-fumaroyl-(S)-2,3-diaminopropanoate
Nbeta-fumaroyl-2,3-diaminopropanoate
Nbeta-fumaroyl-DAP

kegg.compound:C20961
keggC:C20961
FYPSRFSOOLJBNE-QPHDTYRISA-N 		N3-Fumaroyl-L-2,3-diaminopropanoate
(2E)-4-{[(2S)-2-Amino-2-carboxyethyl]amino}-4-oxobut-2-enoate
N3-Fumaroyl-(S)-2,3-diaminopropanoate

seed.compound:cpd26036
seedM:cpd26036
FYPSRFSOOLJBNE-QPHDTYRISA-M 		N3-fumaramoyl-L-2,3-diaminopropanoate
N-3-fumaroyl-(S)-2,3-diaminopropanoate
N-3-fumaroyl-L-2,3-diaminopropanoate
N3-fumaramoyl-L-2,3-diaminopropanoic acid
Nbeta-fumaroyl-2,3-diaminopropanoate
Nbeta-fumaroyl-DAP

keggC:M_C20961
seedM:M_cpd26036 		secondary/obsolete/fantasy identifier