Structure Database (LMSD)

Common Name
Cer(t18:0/17:0)
Systematic Name
N-(heptadecanoyl)-4R-hydroxysphinganine
Synonyms
  • N-(heptadecanoyl)-phytoceramide
  • Cer[NP]
LM ID
LMSP02030053
Formula
C35H71NO4
Exact Mass
Calculate m/z
569.538309
Sum Composition
Cer 35:0;O3
Abbrev Chains
Cer 18:0;O3/17:0
Status
Active
Show lipids differing only in stereochemistry/bond geometry
Predict MS/MS spectrum ([M-H]-)

Classification

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

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

String Representations

InChiKey (Click to copy)
WRBLYLUHABAWGS-UJNSZXMOSA-N
InChi (Click to copy)
InChI=1S/C35H71NO4/c1-3-5-7-9-11-13-15-17-18-20-22-24-26-28-30-34(39)36-32(31-37)35(40)33(38)29-27-25-23-21-19-16-14-12-10-8-6-4-2/h32-33,35,37-38,40H,3-31H2,1-2H3,(H,36,39)/t32-,33+,35-/m0/s1
SMILES (Click to copy)
OC[C@]([H])(NC(=O)CCCCCCCCCCCCCCCC)[C@]([H])(O)[C@H](O)CCCCCCCCCCCCCC

Other Databases

PubChem CID
145715020
SwissLipids ID
SLM:000395640

Calculated Physicochemical Properties

Heavy Atoms 40
Rings 0
Aromatic Rings 0
Rotatable Bonds 32
Van der Waals Molecular Volume 657.58
Topological Polar Surface Area 89.79
Hydrogen Bond Donors 4
Hydrogen Bond Acceptors 5
logP 10.29
Molar Refractivity 173.68

Admin

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