Structure Database (LMSD)

Common Name
1-O-lignoceroyl-Cer(d18:1/16:0)
Systematic Name
1-O-tetracosanoyl-N-(hexadecanoyl)-sphing-4-enine
Synonyms
  • Cer[1-O-ENS]
  • Cer(24:0
  • d18:1/16:0)
LM ID
LMSP02040007
Formula
C58H113NO4
Exact Mass
Calculate m/z
887.866959
Sum Composition
ACer 58:1;O2
Abbrev Chains
1-O-lignoceroyl-Cer 18:1;O2/16:0
Status
Active
Show lipids differing only in stereochemistry/bond geometry

Classification

Category
Main Class
Sub Class
Sphingolipids [SP]
Ceramides [SP02]
Acylceramides [SP0204]

String Representations

InChiKey (Click to copy)
MQLNLVJWQPLYDU-FUWLXEFUSA-N
InChi (Click to copy)
InChI=1S/C58H113NO4/c1-4-7-10-13-16-19-22-25-26-27-28-29-30-31-32-35-38-41-44-47-50-53-58(62)63-54-55(56(60)51-48-45-42-39-36-33-23-20-17-14-11-8-5-2)59-57(61)52-49-46-43-40-37-34-24-21-18-15-12-9-6-3/h48,51,55-56,60H,4-47,49-50,52-54H2,1-3H3,(H,59,61)/b51-48+/t55-,56+/m0/s1
SMILES (Click to copy)
C(OC(=O)CCCCCCCCCCCCCCCCCCCCCCC)[C@]([H])(NC(CCCCCCCCCCCCCCC)=O)[C@H](O)/C=C/CCCCCCCCCCCCC

Other Databases

PubChem CID
118701788

Calculated Physicochemical Properties

Heavy Atoms 63
Rings 0
Aromatic Rings 0
Rotatable Bonds 54
Van der Waals Molecular Volume 1050.20
Topological Polar Surface Area 75.63
Hydrogen Bond Donors 2
Hydrogen Bond Acceptors 4
logP 19.57
Molar Refractivity 278.19

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Updated at
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