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betalamic acid

MNXM2104 is deprecated and here replaced by MNXM732452
!!! Alternative mappings exist !!!
PropertiesImage
MNX_IDMNXM732452 Image of MNXM732452
referencechebi:27483
formulaC9H9NO5
global charge0
mol weight211.173
InChIKeyYQDKULBMDMPFLH-FSRBREEPSA-N
InChIInChI=1S/C9H9NO5/c11-2-1-5-3-6(8(12)13)10-7(4-5)9(14)15/h1-3,7,10H,4H2,(H,12,13)(H,14,15)/b5-1-/t7-/m0/s1
SMILESO=C/C=C1/C=C(C(=O)O)N[C@H](C(=O)O)C1
MNX internals
InChI (mnx)InChI=1/C9H9NO5/c11-2-1-5-3-6(8(12)13)10-7(4-5)9(14)15/h1-3,7,10H,4H2,(H,12,13)(H,14,15)/b5-1-/t7-/m0/s1 Image of MNXM732452
SMILES (mnx)[CH:1](\[CH:2]=[O:11])=[C:5]1/[CH:3]=[C:6]([C:8](=[O:12])[OH:13])[NH:10][C@H:7]([C:9](=[O:14])[OH:15])[CH2:4]1
Parent-child relations graph
Occurences in reactions#reac
in my sandbox 0
in MNXref (generic)15
in models (compartimentalized) 0
Similar chemical compounds in external resources
IdentifierDescription

CHEBI:27483
chebi:27483
YQDKULBMDMPFLH-FSRBREEPSA-N 		betalamic acid
(2S,4E)-4-(2-oxoethylidene)-1,2,3,4-tetrahydropyridine-2,6-dicarboxylic acid
(S-(E))-1,2,3,4-tetrahydro-4-(oxoethylidene)-2,6-pyridinedicarboxylic acid
Betalamic acid

kegg.compound:C08538
keggC:C08538
YQDKULBMDMPFLH-FSRBREEPSA-N 		Betalamic acid

seed.compound:cpd05445
seedM:cpd05445
YQDKULBMDMPFLH-FSRBREEPSA-M 		Betalamic acid
(2S,4E)-4-(2-oxoethylidene)-1,2,3,4-tetrahydropyridine-2,6-dicarboxylate
betalamate
betalamic acid

metacyc.compound:CPD-8651
metacycM:CPD-8651
YQDKULBMDMPFLH-FSRBREEPSA-L 		betalamate
(2S,4E)-4-(2-oxoethylidene)-1,2,3,4-tetrahydropyridine-2,6-dicarboxylate
betalamic acid

chebi:22862
chebi:3076
keggC:M_C08538
seedM:M_cpd05445 		secondary/obsolete/fantasy identifier