Structure Database (LMSD)

Common Name
Cer(t18:0/25:0)
Systematic Name
N-(pentacosanoyl)-4R-hydroxysphinganine
Synonyms
  • N-(pentacosanoyl)-phytoceramide
  • Cer[NP]
LM ID
LMSP02030057
Status
Active
Exact Mass
Calculate m/z
681.663509
Formula
C43H87NO4
Abbrev
Cer 43:0;O3
Abbrev Chains
Cer 18:0;O3/25:0
Show lipids differing only in stereochemistry/bond geometry
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MDLMOL SDF CSV TSV
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Main

Classification

Category
Main Class
Sub Class
Sphingolipids [SP]
Ceramides [SP02]
N-acyl-4-hydroxysphinganines (phytoceramides) [SP0203]

String Representations

InChiKey (Click to copy)
PMJABXIZLCOFDV-MUUZQFHDSA-N
InChi (Click to copy)
InChI=1S/C43H87NO4/c1-3-5-7-9-11-13-15-17-18-19-20-21-22-23-24-25-26-28-30-32-34-36-38-42(47)44-40(39-45)43(48)41(46)37-35-33-31-29-27-16-14-12-10-8-6-4-2/h40-41,43,45-46,48H,3-39H2,1-2H3,(H,44,47)/t40-,41+,43-/m0/s1
SMILES (Click to copy)
OC[C@]([H])(NC(=O)CCCCCCCCCCCCCCCCCCCCCCCC)[C@]([H])(O)[C@H](O)CCCCCCCCCCCCCC

References

Taxonomy Information

Curated from
NCBI taxonomy class
Reference
Homo sapiens (#9606)
Mammalia (#40674)
Comparative profiling and comprehensive quantification of stratum corneum ceramides in humans and mice by LC/MS/MS.,
J Lipid Res, 2020
Pubmed ID: 32265320

Other Databases

PubChem CID
145715022

Calculated Physicochemical Properties

Heavy Atoms 48
Rings 0
Aromatic Rings 0
Rotatable Bonds 40
Van der Waals Molecular Volume 795.98
Topological Polar Surface Area 89.79
Hydrogen Bond Donors 4
Hydrogen Bond Acceptors 5
logP 13.41
Molar Refractivity 210.62

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Created at
28th Apr 2020
Updated at
28th Apr 2020