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betalamic acid

MNXM2104 is deprecated and here replaced by MNXM732452
!!! Alternative mappings exist !!!

Properties

Image

Occurences in reactions

MNX_ID

MNXM732452

	#reac
in my sandbox	0
in MNXref (generic)	11
in models (compartimentalized)	0

formula

C₉H₉NO₅

charge

mass

211.04807

reference

InChIKey

YQDKULBMDMPFLH-FSRBREEPSA-N

InChI

InChI=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

SMILES

O=C/C=C1/C=C(C(=O)O)N[C@H](C(=O)O)C1

Parent-child relations graph

Deprecated MNXref IDs graph

Similar chemical compounds in external resources
Identifier	Description
CHEBI:27483 chebi:27483	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	Betalamic acid
seed.compound:cpd05445 seedM:cpd05445	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	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