betalamate
Chemical Formula:
C9H7NO5
Molecular Weight:
209.158 Daltons
Monoisotopic Mass:
211.04807240460002 Daltons
SMILES:
C(C=C1(CC(NC(=C1)C(=O)[O-])C([O-])=O))=O
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)/p-2/b5-1-/t7-/m0/s1
InChIKey:
Synonyms
- betalamic acid
- (2S,4E)-4-(2-oxoethylidene)-1,2,3,4-tetrahydropyridine-2,6-dicarboxylate
Databases
MetaCyc:
CPD-8651
ChEBI:
27483
HMDB:
HMDB29842
PubChem (CID):
25246067
KEGG:
C08538
Seed:
cpd05445
MetaNetX:
MNXM2104
NIKKAJI:
J373.303C
KNApSAcK:
C00001582
CHEMBL:
CHEMBL2062984
PupChem (SID):
10731