(3E,5R)-5-carboxy-2-oxohept-3-enedioate
Chemical Formula:
C8H5O7
Molecular Weight:
213.123 Daltons
Monoisotopic Mass:
216.0270026115 Daltons
SMILES:
C(CC(C=CC(C([O-])=O)=O)C([O-])=O)([O-])=O
InChI:
1S/C8H8O7/c9-5(8(14)15)2-1-4(7(12)13)3-6(10)11/h1-2,4H,3H2,(H,10,11)(H,12,13)(H,14,15)/p-3/b2-1+/t4-/m0/s1
InChIKey:
Synonyms
- OPET
- 5-carboxy-2-oxohex-3-ene-1,6-dioate
- 5-oxopent-3-ene-1,2,5-tricarboxylate
- 1-oxopent-3-ene-1,4,5-tricarboxylate
Databases
MetaCyc:
CPD-785
ChEBI:
87491
PubChem (CID):
91828236
ChemSpider:
19951288
KEGG:
C04052
MetaNetX:
MNXM162386