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CHEBI:211580 - 16-Hydroxyadipoyl-7-ADCA

ChEBI IDCHEBI:211580
ChEBI Name16-Hydroxyadipoyl-7-ADCA
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC14H18N2O7S
Net Charge0
Average Mass358.372
Monoisotopic Mass358.08347
SMILESCC1=C(C(=O)O)N2C(=O)[C@@H](NC(=O)CCCC(O)C(=O)O)[C@H]2SC1
InChIInChI=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
InChIKeyRMLHKIIIPXZPPX-XTOKZYMASA-N
Species of MetaboliteComponentSourceComments
Penicillium chrysogenum (ncbitaxon:5076) - PubMed (7775275)
Roles Classification
Biological Roles:
drug allergen  Any drug which causes the onset of an allergic reaction.
antimicrobial agent  A substance that kills or slows the growth of microorganisms, including bacteria, viruses, fungi and protozoans.
antimicrobial agent  A substance that kills or slows the growth of microorganisms, including bacteria, viruses, fungi and protozoans.
Application:
drug allergen  Any drug which causes the onset of an allergic reaction.
ChEBI Ontology
Outgoing Relation(s)
16-Hydroxyadipoyl-7-ADCA (CHEBI:211580) is a cephalosporin (CHEBI:23066)
IUPAC Name 
(6R,7R)-7-[(5-carboxy-5-hydroxypentanoyl)amino]-3-methyl-8-oxo-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylic acid
Manual XrefsDatabases
8603891ChemSpider