Structure database (LMSD)

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LM IDLMSP02010001
Common NameCer(d18:1/14:0)
Systematic NameN-(tetradecanoyl)-sphing-4-enine
SynonymsC14 Cer; N-(tetradecanoyl)-ceramide; N-(myristoyl)-ceramide; Cer[NS]
Exact Mass
509.4808 (neutral)    Calculate m/z:
FormulaC32H63NO3
CategorySphingolipids [SP]
Main ClassCeramides [SP02]
Sub ClassN-acylsphingosines (ceramides) [SP0201]
AbbrevCer 32:1;O2
Abbrev ChainsCer 18:1;O2/14:0
PubChem CID5282310
KEGG IDC13916
HMDB IDHMDB0011773
CHEBI ID34863
SWISSLIPIDS IDSLM:000000975
CAYMAN ID22531
InChIKeyZKRPGPZHULJLKJ-JHRQRACZSA-N  Show lipids differing only in stereochemistry/bond geometry
InChI
InChI=1S/C32H63NO3/c1-3-5-7-9-11-13-15-16-18-19-21-23-25-27-31(35)30(29-34)33-32(36)28-26-24-22-20-17-14-12-10-8-6-4-2/h25,27,30-31,34-35H,3-24,26,28-29H2,1-2H3,(H,33,36)/b27-25+/t30-,31+/m0/s1
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SMILES
OC[C@]([H])(NC(=O)CCCCCCCCCCCCC)[C@]([H])(O)/C=C/CCCCCCCCCCCCC
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MS SpectraView MoNA MS spectra      Predict MS/MS spectrum ([M-H]-)
StatusActive
Calculated physicochemical properties (?):
 Heavy Atoms36Rings0Aromatic Rings0Rotatable Bonds28
 van der Waals
Molecular Volume
594.25Topological Polar
Surface Area
69.56Hydrogen
Bond Donors
3Hydrogen
Bond Acceptors
3
 logP9.64Molar
Refractivity
157.83