5-dehydro-4-deoxy-D-glucarate

5-dehydro-4-deoxy-D-glucarate




Chemical Formula:
C6H6O7
Molecular Weight:
190.109 Daltons
Monoisotopic Mass:
192.0270026115 Daltons
SMILES:
C(C(CC(C(C([O-])=O)O)O)=O)([O-])=O
InChI:
1S/C6H8O7/c7-2(4(9)6(12)13)1-3(8)5(10)11/h2,4,7,9H,1H2,(H,10,11)(H,12,13)/p-2/t2-,4+/m0/s1
InChIKey:
QUURPCHWPQNNGL-ZAFYKAAXSA-L

Synonyms
  • 3-deoxy-2-keto-L-threo-hexarate
  • 5-keto-4-deoxy-D-glucarate
  • KDG
  • 3-deoxy-L-threo-hex-2-ulosarate
  • GLR
  • KGR
  • 5-KDG
  • 3-deoxy-(L)-threo-2-hexulosarate
  • (2R,3S)-2,3-dihydroxy-5-oxohexanedioate
  • 2-keto-L-threo-4,5-dihydroxyadipate

Databases
MetaCyc:  5-KETO-4-DEOXY-D-GLUCARATE
BiGG:  5dh4dglc
DRUGBANK:  DB03237
ChemSpider:  4450631
PubChem (CID):  5288442
ChEBI:  42819 16369
KEGG:  C00679
Seed:  cpd00515
MetaNetX:  MNXM854
PupChem (SID):  3948
PDB-CCD:  GLR
3DMET:  B01308
NIKKAJI:  J913.057H