shikimate
Chemical Formula:
C7H9O5
Molecular Weight:
173.145 Daltons
Monoisotopic Mass:
174.0528234315 Daltons
SMILES:
C1(=C(CC(C(O)C(O)1)O)C(=O)[O-])
InChI:
1S/C7H10O5/c8-4-1-3(7(11)12)2-5(9)6(4)10/h1,4-6,8-10H,2H2,(H,11,12)/p-1/t4-,5-,6-/m1/s1
InChIKey:
Synonyms
- shikimic acid
- (3R,4S,5R)--3,4,5-trihydroxycyclohex-1-ene-1-carboxylate
- 3,4,5-Trihydroxy-1-cyclohexenecarboxylic acid
Databases
MetaCyc:
SHIKIMATE
RefMet:
Shikimic acid
BiGG:
skm
HMDB:
HMDB03070
ChemSpider:
5414360
KEGG:
C00493
CAS:
138-59-0
Reactome:
964932
Seed:
cpd00383
MetaNetX:
MNXM602
PupChem (SID):
3776
CHEMBL:
CHEMBL290345
CHEMBL3348832
KNApSAcK:
C00001203
PDB-CCD:
SKM
3DMET:
B01267
NIKKAJI:
J3.267K