InCHi String:
InChI=1S/C18H34O2/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18(19)20/h9-10H,2-8,11-17H2,1H3,(H,19,20)/b10-9+
canonical SMILES: CCCCCCCCC=CCCCCCCCC(=O)O
isomeric SMILES: CCCCCCCC/C=C/CCCCCCCC(=O)O
PUBCHEM iupac NAME: PUBCHEM iupac OPENEYE NAME: PUBCHEM iupac SYSTEMATIC NAME(E)-octadec-9-enoic acid
PUBCHEM iupac TRADITIONAL NAMEelaidic acid
PUBCHEM iupac CAS NAME(E)-9-octadecenoic acid
PubChem Substance (SID):
111677782 7849940 10340451PubChem Compound (CID):
637517KEGG: Compound ID
C01712CAS Registry IDs: 112-79-8 2027-47-6
PDB Chemical Component
ELA 9CL ABNMiscellaneous Databases and IDs:
Sigma-Aldrich E4637_SIGMA
ChEBI CHEBI:36021 MMDB 35610.4
LipidMAPS LMFA01030073
NMRShiftDB 10016910
NIST Chemistry WebBook 1040850725
NIST 3299509201
MMCD cq_01098
MDL MFCD00063954
Reference data were obtained primarily from the PubChem database.
Three dimensional molecular rendering uses Jmol.
