3-dehydroquinate
Chemical Formula:
C7H9O6
Molecular Weight:
189.144 Daltons
Monoisotopic Mass:
190.0477380536 Daltons
SMILES:
C(=O)([O-])C1(O)(CC(=O)C(O)C(O)C1)
InChI:
1S/C7H10O6/c8-3-1-7(13,6(11)12)2-4(9)5(3)10/h3,5,8,10,13H,1-2H2,(H,11,12)/p-1/t3-,5+,7-/m1/s1
InChIKey:
Synonyms
- 3-dehydroquinic acid
- 5-dehydroquinic acid
- 5-dehydroquinate
- 5-de-H-quinate
- rel-(1R,3R,4S)-1,3,4-trihydroxy-5-oxocyclohexanecarboxylate
Databases
MetaCyc:
DEHYDROQUINATE
RefMet:
3-Dehydroquinate
BiGG:
3dhq
HMDB:
HMDB12710
ChemSpider:
4573866
KEGG:
C00944
CAS:
10534-44-8
Reactome:
964921
Seed:
cpd00699
MetaNetX:
MNXM478
3DMET:
B01357
NIKKAJI:
J93.942K
PDB-CCD:
DQA
KNApSAcK:
C00019664
PupChem (SID):
4196