Structure database (LMSD)

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LM IDLMSP00000009
Common NameCer(m18:1(4E)/26:0)
Systematic NameN-(hexacosanoyl)-1-deoxysphing-4-enine
SynonymsC26 1-deoxyCer
Exact Mass
661.6737 (neutral)    Calculate m/z:
FormulaC44H87NO2
CategorySphingolipids [SP]
Main ClassOther Sphingolipids [SP00]
Sub Class-
PubChem CID73242200
InChIKeyHIPRQCXVSRJDCK-IHGDIBJZSA-N  Show lipids differing only in stereochemistry/bond geometry
InChIInChI=1S/C44H87NO2/c1-4-6-8-10-12-14-16-18-19-20-21-22-23-24-25-26-27-29-31-33-3
5-37-39-41-44(47)45-42(3)43(46)40-38-36-34-32-30-28-17-15-13-11-9-7-5-2/h38,40,4
2-43,46H,4-37,39,41H2,1-3H3,(H,45,47)/b40-38+/t42-,43+/m0/s1
SMILES[C@](C)([H])(NC(CCCCCCCCCCCCCCCCCCCCCCCCC)=O)[C@]([H])(O)/C=C/CCCCCCCCCCCCC
StatusActive
Calculated physicochemical properties (?):
 Heavy Atoms47Rings0Aromatic Rings0Rotatable Bonds39
 van der Waals
Molecular Volume
793.06Topological Polar
Surface Area
49.33Hydrogen
Bond Donors
2Hydrogen
Bond Acceptors
2
 logP15.06Molar
Refractivity
211.34