Structure Database (LMSD)

Common Name
omega-linoleoyloxy-Cer(t18:1(6OH)/32:0)
Systematic Name
N-(32-(9Z,12Z-octadecadienoyloxy)-dotriacontanoyl)-6R-hydroxy-sphing-4E-enine
Synonyms
  • Cer[EOH]
  • N-(32-linoleoyloxy-dotriacontanoyl)-6-hydroxy-sphing-4E-enine
  • Cer(d18:1(6OH)/32:0
  • 18:2(9Z,12Z))
LM ID
LMSP02040022
Status
Active
Exact Mass
Calculate m/z
1055.981989
Formula
Abbrev


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MDLMOL SDF CSV TSV
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Main

Classification

String Representations

InChiKey (Click to copy)
BHVSHIWHUCTIKV-KDEOQDHTSA-N
InChi (Click to copy)
InChI=1S/C68H129NO6/c1-3-5-7-9-11-13-15-16-32-36-39-43-47-51-55-59-68(74)75-62-56-52-48-44-40-37-34-31-29-27-25-23-21-19-17-18-20-22-24-26-28-30-33-35-38-42-46-50-54-58-67(73)69-65(63-70)66(72)61-60-64(71)57-53-49-45-41-14-12-10-8-6-4-2/h11,13,16,32,60-61,64-66,70-72H,3-10,12,14-15,17-31,33-59,62-63H2,1-2H3,(H,69,73)/b13-11-,32-16-,61-60+/t64-,65+,66-/m1/s1
SMILES (Click to copy)
[C@](CO)([H])(NC(CCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCOC(CCCCCCC/C=C\C/C=C\CCCCC)=O)=O)[C@]([H])(O)/C=C/[C@H](O)CCCCCCCCCCCC

References

Taxonomy Information

Curated from
NCBI taxonomy class
Reference
Homo sapiens (#9606)
Mammalia (#40674)
Lipidomic and transcriptional analysis of the Linoleoyl-omega-Hydroxyceramide biosynthetic pathway in human psoriatic lesions.,
J Lipid Res, 2021
Pubmed ID: 34171322

Calculated Physicochemical Properties

Heavy Atoms 75
Rings 0
Aromatic Rings 0
Rotatable Bonds 63
Van der Waals Molecular Volume 1235.50
Topological Polar Surface Area 116.09
Hydrogen Bond Donors 4
Hydrogen Bond Acceptors 7
logP 21.54
Molar Refractivity 327.97

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Created at
24th Mar 2020
Updated at
1st Jul 2021