shikimate

Description

Shikimate (SHIK) is an intermediate of the common aromatic pathway, and its accumulation in culture supernatants reflects an enzymatic bottleneck or insufficient capacity in downstream pathway steps in engineered production strains [343].

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:

JXOHGGNKMLTUBP-HSUXUTPPSA-M

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

ChEBI: 36208 16119

PubChem (CID): 7057976 8742

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