Structure database (LMSD)

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LM IDLMSP02020054
Common NameCer(d18:0/19:0)
Systematic NameN-(nonadecanoyl)-sphinganine
SynonymsN-(nonadecanoyl)-dihydroceramide; Cer[NDS]
Exact Mass
581.5747 (neutral)    Calculate m/z:
FormulaC37H75NO3
CategorySphingolipids [SP]
Main ClassCeramides [SP02]
Sub ClassN-acylsphinganines (dihydroceramides) [SP0202]
PubChem CID15511091
SWISSLIPIDS IDSLM:000395573
InChIKeyZNVQCANCZXMJOJ-MPQUPPDSSA-N  Show lipids differing only in stereochemistry/bond geometry
InChI
InChI=1S/C37H75NO3/c1-3-5-7-9-11-13-15-17-18-19-21-23-25-27-29-31-33-37(41)38-35(34-39)36(40)32-30-28-26-24-22-20-16-14-12-10-8-6-4-2/h35-36,39-40H,3-34H2,1-2H3,(H,38,41)/t35-,36+/m0/s1
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SMILES
[C@](CO)([H])(NC(CCCCCCCCCCCCCCCCCC)=O)[C@]([H])(O)CCCCCCCCCCCCCCC
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StatusActive
ReferencesComparative profiling and comprehensive quantification of stratum corneum ceramides in humans and mice by LC-MS/MS.
J Lipid Res. 2020
DOI: 10.1194/jlr.RA120000671
PMID: 32265320
Calculated physicochemical properties (?):
 Heavy Atoms41Rings0Aromatic Rings0Rotatable Bonds34
 van der Waals
Molecular Volume
683.39Topological Polar
Surface Area
69.56Hydrogen
Bond Donors
3Hydrogen
Bond Acceptors
4
 logP11.81Molar
Refractivity
181.01