3-dehydroshikimate

4,5-dihydroxy-3-oxocyclohex-1-ene-1-carboxylate

Formula: C7H8O5 (172.0372)
Chinese Name: 3-脱氢莽草酸
BioDeep ID: BioDeep_00000228832 ( View LC/MS Profile)
SMILES: OC1CC(=CC(=O)C1O)C([O-])=O



Found 2 Sample Hits

m/z Adducts Species Organ Scanning Sample
173.043 [M+H]+
PPM:8.4		 Homo sapiens esophagus DESI ()
LNTO22_1_3 - MTBLS385
Resolution: 75μm, 121x68

Description

173.043 [M+H]+
PPM:8.4		 Homo sapiens esophagus DESI ()
LNTO22_1_8 - MTBLS385
Resolution: 75μm, 69x61

Description


3-dehydro-shikimate is a member of the class of compounds known as cyclohexenones. Cyclohexenones are compounds containing a cylohexenone moiety, which is a six-membered aliphatic ring that carries a ketone and has one endocyclic double bond. 3-dehydro-shikimate is soluble (in water) and a weakly acidic compound (based on its pKa). 3-dehydro-shikimate can be found in a number of food items such as pot marjoram, salmonberry, purple laver, and lichee, which makes 3-dehydro-shikimate a potential biomarker for the consumption of these food products. 3-dehydro-shikimate may be a unique E.coli metabolite.