3-dehydroshikimate

Description

Dehydroshikimate (DHS) is an intermediate of the shikimate pathway that accumulates in the culture supernatants of engineered strains, indicating a downstream carbon flux bottleneck in the aromatic biosynthesis pathway [343].

Chemical Formula:

C₇H₇O₅

Molecular Weight:

171.129 Daltons

Monoisotopic Mass:

172.0371733673 Daltons

SMILES:

C([O-])(=O)C1(=CC(=O)C(O)C(O)C1)

InChI:

1S/C7H8O5/c8-4-1-3(7(11)12)2-5(9)6(4)10/h1,5-6,9-10H,2H2,(H,11,12)/p-1/t5-,6-/m1/s1

InChIKey:

SLWWJZMPHJJOPH-PHDIDXHHSA-M

Synonyms

3-dehydroshikimic acid
5-dehydroshikimic acid
5-dehydroshikimate
DHS

Databases

MetaCyc: 3-DEHYDRO-SHIKIMATE

RefMet: 3-dehydroshikimate

BiGG: 3dhsk

ChemSpider: 4573915

ChEBI: 16630

PubChem (CID): 5460360

KEGG: C02637

Reactome: 964941

Seed: cpd01716

MetaNetX: MNXM611