palmitoleic acid   

GtoPdb Ligand ID: 5547

Synonyms: (9Z)-hexadecenoic acid | 9-cis-hexadecenoic acid
2D Structure
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Physico-chemical Properties
Hydrogen bond acceptors 2
Hydrogen bond donors 1
Rotatable bonds 13
Topological polar surface area 37.3
Molecular weight 254.22
XLogP 7.05
No. Lipinski's rules broken 2
SMILES / InChI / InChIKey
Canonical SMILES CCCCCCC=CCCCCCCCC(=O)O
Isomeric SMILES CCCCCC/C=C\CCCCCCCC(=O)O
InChI InChI=1S/C16H30O2/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16(17)18/h7-8H,2-6,9-15H2,1H3,(H,17,18)/b8-7-
InChI Key SECPZKHBENQXJG-FPLPWBNLSA-N
Classification
Compound class Metabolite or derivative
IUPAC Name
(Z)-Hexadec-9-enoic acid
Synonyms
(9Z)-hexadecenoic acid | 9-cis-hexadecenoic acid
Database Links
CAS Registry No. 373-49-9 (source: Scifinder)
ChEBI CHEBI:28716
ChEMBL Ligand CHEMBL453509
DrugBank Ligand DB04257
GtoPdb PubChem SID 178102189
PubChem CID 445638
RCSB PDB Ligand PAM
Search Google for chemical match using the InChIKey SECPZKHBENQXJG-FPLPWBNLSA-N
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Search UniChem for chemical match using the InChIKey SECPZKHBENQXJG-FPLPWBNLSA-N
Search UniChem for chemicals with the same backbone SECPZKHBENQXJG
Wikipedia Palmitoleic_acid