Record Information
Version1.0
StatusDetected and Quantified
Creation Date2021-05-15 09:00:33 UTC
Update Date2022-08-31 06:44:36 UTC
Metabolite IDMMDBc0018857
Metabolite Identification
Common Name16-Hydroxyadipoyl-7-ADCA
Description16-Hydroxyadipoyl-7-ADCA, also known as 16-ha-7-adca, belongs to the class of organic compounds known as cephalosporins. Cephalosporins are compounds containing a 1,2-thiazine fused to a 2-azetidinone to for a oxo-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylic acid moiety or a derivative thereof. Based on a literature review very few articles have been published on 16-Hydroxyadipoyl-7-ADCA.
Structure
Synonyms
ValueSource
16-HA-7-adcaMeSH
16-Hydroxyadipoyl-7-aminodeacetoxycephalosporanic acidMeSH
Molecular FormulaC14H18N2O7S
Average Mass358.37
Monoisotopic Mass358.083472102
IUPAC Name(6R,7R)-7-[(5-carboxy-1,5-dihydroxypentylidene)amino]-3-methyl-8-oxo-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylic acid
Traditional Name(6R,7R)-7-[(5-carboxy-1,5-dihydroxypentylidene)amino]-3-methyl-8-oxo-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylic acid
CAS Registry NumberNot Available
SMILES
[H]C(O)(CCCC(O)=N[C@]1([H])C(=O)N2C(C(O)=O)=C(C)CS[C@]12[H])C(O)=O
InChI Identifier
InChI=1S/C14H18N2O7S/c1-6-5-24-12-9(11(19)16(12)10(6)14(22)23)15-8(18)4-2-3-7(17)13(20)21/h7,9,12,17H,2-5H2,1H3,(H,15,18)(H,20,21)(H,22,23)/t7?,9-,12-/m1/s1
InChI KeyRMLHKIIIPXZPPX-XTOKZYMASA-N