InCHi String:
InChI=1S/C7H12O4/c8-6(9)4-2-1-3-5-7(10)11/h1-5H2,(H,8,9)(H,10,11)
canonical and isomeric SMILES: C(CCC(=O)O)CCC(=O)O
PUBCHEM iupac NAME: PUBCHEM iupac OPENEYE NAME: PUBCHEM iupac CAS NAME: PUBCHEM iupac SYSTEMATIC NAMEheptanedioic acid
PUBCHEM iupac TRADITIONAL NAMEpimelic acid
PubChem Substance (SID):
85165152 37915207 8145259PubChem Compound (CID):
385KEGG: Compound ID
C02656CAS Registry IDs: 111-16-0
PDB Chemical Component
PMLMiscellaneous Databases and IDs:
Sigma-Aldrich 80500_FLUKA
ChEBI CHEBI:30531 BioCyc CPD-205
ChemSpider 13886620
NMRShiftDB 10016799
EPA DSSTox 1598
LipidMAPS LMFA01170051
DrugBank EXPT02618
ChemDB 3969299
NIST Chemistry WebBook 3187820982
Reference data were obtained primarily from the PubChem database.
Three dimensional molecular rendering uses Jmol.