Record Information
Version1.0
StatusDetected and Quantified
Creation Date2021-05-14 23:37:45 UTC
Update Date2022-08-31 06:25:17 UTC
Metabolite IDMMDBc0006402
Metabolite Identification
Common NamePenicillic acid
Descriptionpenicillic acid, also known as penicillate or acid, penicillic, belongs to the class of organic compounds known as medium-chain keto acids and derivatives. These are keto acids with a 6 to 12 carbon atoms long side chain. penicillic acid is an extremely weak basic (essentially neutral) compound (based on its pKa).
Structure
Synonyms
ValueSource
PenicillateGenerator
Acid, penicillicMeSH
Penicillic acidMeSH
(2Z)-3-Methoxy-5-methyl-4-oxohexa-2,5-dienoateGenerator
Molecular FormulaC8H10O4
Average Mass170.164
Monoisotopic Mass170.057908802
IUPAC Name(2Z)-3-methoxy-5-methyl-4-oxohexa-2,5-dienoic acid
Traditional Namepenicillic acid
CAS Registry NumberNot Available
SMILES
[H]\C(C(O)=O)=C(\OC)C(=O)C(C)=C
InChI Identifier
InChI=1S/C8H10O4/c1-5(2)8(11)6(12-3)4-7(9)10/h4H,1H2,2-3H3,(H,9,10)/b6-4-
InChI KeyVOUGEZYPVGAPBB-XQRVVYSFSA-N