Showing metabocard for 9Z-Hexadecenoic acid (BMDB0109628)

IdentificationTaxonomyPhysical propertiesPathwaysSpectraConcentrationsLinksReferencesXML
Record Information
Version1.0
Creation Date2020-03-31 16:40:21 UTC
Update Date2020-03-31 16:40:22 UTC
BMDB IDBMDB0109628
Secondary Accession NumbersNone
Metabolite Identification
Common Name9Z-Hexadecenoic acid
DescriptionPalmitoleic acid, also known as palmitoleate or (9Z)-hexadecenoate, belongs to the class of organic compounds known as long-chain fatty acids. These are fatty acids with an aliphatic tail that contains between 13 and 21 carbon atoms. Based on a literature review a significant number of articles have been published on Palmitoleic acid.
Structure
Thumb
MOLSDF3D-SDFPDBSMILESInChI View 3D Structure
Synonyms
ValueSource
(9Z)-Hexadecenoic acidChEBI
(Z)-9-Hexadecenoic acidChEBI
(Z)-Hexadec-9-enoic acidChEBI
16:1DElta9ChEBI
9-cis-Hexadecenoic acidChEBI
cis-9-Hexadecenoic acidChEBI
cis-9-Palmitoleic acidChEBI
cis-delta-9-Hexadecenoic acidChEBI
cis-Delta(9)-Hexadecenoic acidChEBI
cis-Palmitoleic acidChEBI
Oleopalmitic acidChEBI
Palmitolinoleic acidChEBI
Zoomaric acidChEBI
Zoomeric acidChEBI
(9Z)-Hexadec-9-enoateKegg
(9Z)-HexadecenoateGenerator
(Z)-9-HexadecenoateGenerator
(Z)-Hexadec-9-enoateGenerator
9-cis-HexadecenoateGenerator
cis-9-HexadecenoateGenerator
cis-9-PalmitoleateGenerator
cis-delta-9-HexadecenoateGenerator
cis-Δ-9-hexadecenoateGenerator
cis-Δ-9-hexadecenoic acidGenerator
cis-delta(9)-HexadecenoateGenerator
cis-Δ(9)-hexadecenoateGenerator
cis-Δ(9)-hexadecenoic acidGenerator
cis-PalmitoleateGenerator
OleopalmitateGenerator
PalmitolinoleateGenerator
ZoomarateGenerator
ZoomerateGenerator
(9Z)-Hexadec-9-enoic acidGenerator
PalmitoleateGenerator
9-HexadecenoateHMDB
9-Hexadecenoic acidHMDB
HexadecenoateHMDB
Hexadecenoate (N-C16:1)HMDB
Hexadecenoic acidHMDB
Palmitoleic acid, (Z)-isomerHMDB
Palmitoleic acid, (e)-isomerHMDB
C16:1 trans-9HMDB
Palmitelaidic acidHMDB
(9Z)-9-Hexadecenoic acidHMDB
9Z-Hexadecenoic acidHMDB
C16:1HMDB
FA(16:1(9Z))HMDB
FA(16:1n7)HMDB
cis-delta9-Hexadecenoic acidHMDB
cis-Δ9-hexadecenoic acidHMDB
Palmitoleic acidHMDB
Chemical FormulaC16H30O2
Average Molecular Weight254.4082
Monoisotopic Molecular Weight254.224580204
IUPAC Name(9Z)-hexadec-9-enoic acid
Traditional Namepalmitoleic acid
CAS Registry NumberNot Available
SMILES
CCCCCC\C=C/CCCCCCCC(O)=O
InChI Identifier
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 KeySECPZKHBENQXJG-FPLPWBNLSA-N
Chemical Taxonomy
Description belongs to the class of organic compounds known as long-chain fatty acids. These are fatty acids with an aliphatic tail that contains between 13 and 21 carbon atoms.
KingdomOrganic compounds
Super ClassLipids and lipid-like molecules
ClassFatty Acyls
Sub ClassFatty acids and conjugates
Direct ParentLong-chain fatty acids
Alternative Parents
Substituents
  • Long-chain fatty acid
  • Unsaturated fatty acid
  • Straight chain fatty acid
  • Monocarboxylic acid or derivatives
  • Carboxylic acid
  • Carboxylic acid derivative
  • Organic oxygen compound
  • Organic oxide
  • Hydrocarbon derivative
  • Organooxygen compound
  • Carbonyl group
  • Aliphatic acyclic compound
Molecular FrameworkAliphatic acyclic compounds
External Descriptors
Ontology
StatusExpected but not Quantified
OriginNot Available
BiofunctionNot Available
ApplicationNot Available
Cellular locationsNot Available
Physical Properties
StateNot Available
Experimental Properties
PropertyValueReference
Melting PointNot AvailableNot Available
Boiling PointNot AvailableNot Available
Water SolubilityNot AvailableNot Available
LogPNot AvailableNot Available
Predicted Properties
PropertyValueSource
logP6.71ALOGPS
logP5.89ChemAxon
logS-5.8ALOGPS
pKa (Strongest Acidic)4.99ChemAxon
Physiological Charge-1ChemAxon
Hydrogen Acceptor Count2ChemAxon
Hydrogen Donor Count1ChemAxon
Polar Surface Area37.3 ŲChemAxon
Rotatable Bond Count13ChemAxon
Refractivity78.2 m³·mol⁻¹ChemAxon
Polarizability32.87 ųChemAxon
Number of Rings0ChemAxon
BioavailabilityYesChemAxon
Rule of FiveYesChemAxon
Ghose FilterYesChemAxon
Veber's RuleYesChemAxon
MDDR-like RuleYesChemAxon
Spectra
Spectra
Biological Properties
Cellular LocationsNot Available
Biospecimen LocationsNot Available
Pathways
Normal Concentrations
Not Available
Abnormal Concentrations
Not Available
HMDB IDHMDB0003229
DrugBank IDDB04257
Phenol Explorer Compound IDNot Available
FooDB IDFDB031085
KNApSAcK IDC00001234
Chemspider ID393216
KEGG Compound IDC08362
BioCyc IDCPD-9245
BiGG ID246167
Wikipedia LinkPalmitoleic acid
METLIN ID188
PubChem Compound445638
PDB IDNot Available
ChEBI ID28716
References
Synthesis ReferenceNot Available
Material Safety Data Sheet (MSDS)Not Available
General ReferencesNot Available