Canmetcon
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Identification
YMDB IDYMDB16182
NameCeramide (d18:1/18:0)
SpeciesNot Available
StrainBrewer's yeast
DescriptionNot Available
Structure
Thumb
Synonyms
  • C18 Cer
  • Cer(D18:1/18:0)
  • N-(Octadecanoyl)ceramide
  • N-(Octadecanoyl)sphing-4-enine
  • N-(Stearoyl)ceramide
  • N-Octadecanoylsphing-4-enine
  • N-Stearoylsphing-4-enine
  • N-Stearoylsphingosine
  • N-(Octadecanoyl)-sphing-4-enine
  • (2S,3R,4E)-2-Acylamino-1,3-octadec-4-enediol
  • (2S,3R,4E)-2-Acylaminooctadec-4-ene-1,3-diol
  • Cer
  • Ceramide
  • N-Acylsphingosine
  • N-[(1S,2R,3E)-2-Hydroxy-1-(hydroxymethyl)-3-heptadecenyl]-octadecanamide
CAS numberNot Available
WeightAverage: 565.9538
Monoisotopic: 565.543395143
InChI KeyVODZWWMEJITOND-NXCSZAMKSA-N
InChIInChI=1S/C36H71NO3/c1-3-5-7-9-11-13-15-17-18-20-22-24-26-28-30-32-36(40)37-34(33-38)35(39)31-29-27-25-23-21-19-16-14-12-10-8-6-4-2/h29,31,34-35,38-39H,3-28,30,32-33H2,1-2H3,(H,37,40)/b31-29+/t34-,35+/m0/s1
IUPAC NameN-[(2S,3R,4E)-1,3-dihydroxyoctadec-4-en-2-yl]octadecanamide
Traditional IUPAC NameC18 cer
Chemical FormulaC36H71NO3
SMILESCCCCCCCCCCCCCCCCCC(=O)N[C@@H](CO)[C@H](O)\C=C\CCCCCCCCCCCCC
Chemical Taxonomy
Description belongs to the class of organic compounds known as long-chain ceramides. These are ceramides bearing a long chain fatty acid.
KingdomOrganic compounds
Super ClassLipids and lipid-like molecules
ClassSphingolipids
Sub ClassCeramides
Direct ParentLong-chain ceramides
Alternative Parents
Substituents
  • Long-chain ceramide
  • Fatty amide
  • N-acyl-amine
  • Fatty acyl
  • Carboxamide group
  • Secondary alcohol
  • Secondary carboxylic acid amide
  • Carboxylic acid derivative
  • Primary alcohol
  • Organooxygen compound
  • Organonitrogen compound
  • Organic oxide
  • Organopnictogen compound
  • Organic oxygen compound
  • Alcohol
  • Organic nitrogen compound
  • Carbonyl group
  • Hydrocarbon derivative
  • Aliphatic acyclic compound
Molecular FrameworkAliphatic acyclic compounds
External Descriptors
Physical Properties
StateSolid
Charge0
Melting pointNot Available
Experimental Properties
PropertyValueReference
Water SolubilityNot AvailablePhysProp
LogPNot AvailablePhysProp
Predicted Properties
PropertyValueSource
Water Solubility3.2e-05 g/LALOGPS
logP9.78ALOGPS
logP11.75ChemAxon
logS-7.2ALOGPS
pKa (Strongest Acidic)13.62ChemAxon
pKa (Strongest Basic)0.02ChemAxon
Physiological Charge0ChemAxon
Hydrogen Acceptor Count3ChemAxon
Hydrogen Donor Count3ChemAxon
Polar Surface Area69.56 ŲChemAxon
Rotatable Bond Count32ChemAxon
Refractivity174.98 m³·mol⁻¹ChemAxon
Polarizability77.46 ųChemAxon
Number of Rings0ChemAxon
Bioavailability0ChemAxon
Rule of FiveYesChemAxon
Ghose FilterYesChemAxon
Veber's RuleYesChemAxon
MDDR-like RuleYesChemAxon
Biological Properties
Cellular LocationsNot Available
Organoleptic PropertiesNot Available
SMPDB Pathways
Sphingolipid metabolismPW002479 ThumbThumb?image type=greyscaleThumb?image type=simple
KEGG Pathways
Sphingolipid metabolismec00600 Map00600
SMPDB Reactions
Ceramide (d18:1/18:0) → CerP(d18:1/18:0)
CerP(d18:1/18:0) + waterCeramide (d18:1/18:0) + phosphate
Dihydroceramide Ceramide (d18:1/18:0)
Ceramide (d18:1/18:0) + waterSphingosine
Ceramide (d18:1/18:0) + Adenosine triphosphate → CerP(d18:1/18:0) + ADP
KEGG ReactionsNot Available
Concentrations
Intracellular ConcentrationsNot Available
Extracellular ConcentrationsNot Available
Spectra
Spectra
References
References:Not Available
Synthesis Reference:Not Available
External Links:
ResourceLink
CHEBI ID72961
HMDB IDHMDB0004950
Pubchem Compound ID5283565
Kegg IDC00195
ChemSpider ID4446678
FOODB IDFDB023537
Wikipedia IDNot Available
BioCyc IDNot Available