Structure Database (LMSD)

Common Name
1-O-lignoceroyl-Cer(d18:1/18:0)
Systematic Name
1-O-tetracosanoyl-N-(octadecanoyl)-sphing-4-enine
Synonyms
  • Cer[1-O-ENS]
  • Cer(24:0
  • d18:1/18:0)
LM ID
LMSP02040016
Formula
C60H117NO4
Exact Mass
Calculate m/z
915.898259
Sum Composition
ACer 60:1;O2
Abbrev Chains
1-O-lignoceroyl-Cer 18:1;O2/18:0
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)
ZQDBFDJPHFFEFJ-BSUXNWSHSA-N
InChi (Click to copy)
InChI=1S/C60H117NO4/c1-4-7-10-13-16-19-22-25-27-28-29-30-31-32-34-37-40-43-46-49-52-55-60(64)65-56-57(58(62)53-50-47-44-41-38-35-24-21-18-15-12-9-6-3)61-59(63)54-51-48-45-42-39-36-33-26-23-20-17-14-11-8-5-2/h50,53,57-58,62H,4-49,51-52,54-56H2,1-3H3,(H,61,63)/b53-50+/t57-,58+/m0/s1
SMILES (Click to copy)
C(OC(=O)CCCCCCCCCCCCCCCCCCCCCCC)[C@]([H])(NC(CCCCCCCCCCCCCCCCC)=O)[C@H](O)/C=C/CCCCCCCCCCCCC

Other Databases

PubChem CID
118701797

Calculated Physicochemical Properties

Heavy Atoms 65
Rings 0
Aromatic Rings 0
Rotatable Bonds 56
Van der Waals Molecular Volume 1084.80
Topological Polar Surface Area 75.63
Hydrogen Bond Donors 2
Hydrogen Bond Acceptors 4
logP 20.35
Molar Refractivity 287.42

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Created at
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Updated at
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