Structure Database (LMSD)

Common Name
Cer(t18:0/15:0)
Systematic Name
N-(pentadecanoyl)-4R-hydroxysphinganine
Synonyms
  • N-(pentadecanoyl)-phytoceramide
  • Cer[NP]
LM ID
LMSP02030052
Formula
C33H67NO4
Exact Mass
Calculate m/z
541.507009
Sum Composition
Cer 33:0;O3
Abbrev Chains
Cer 18:0;O3/15:0
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)
QQJRGGSYIJDMQP-PZWMIYICSA-N
InChi (Click to copy)
InChI=1S/C33H67NO4/c1-3-5-7-9-11-13-15-17-19-21-23-25-27-31(36)33(38)30(29-35)34-32(37)28-26-24-22-20-18-16-14-12-10-8-6-4-2/h30-31,33,35-36,38H,3-29H2,1-2H3,(H,34,37)/t30-,31+,33-/m0/s1
SMILES (Click to copy)
OC[C@]([H])(NC(=O)CCCCCCCCCCCCCC)[C@]([H])(O)[C@H](O)CCCCCCCCCCCCCC

Other Databases

PubChem CID
145715019
SwissLipids ID
SLM:000395646

Calculated Physicochemical Properties

Heavy Atoms 38
Rings 0
Aromatic Rings 0
Rotatable Bonds 30
Van der Waals Molecular Volume 622.98
Topological Polar Surface Area 89.79
Hydrogen Bond Donors 4
Hydrogen Bond Acceptors 5
logP 9.51
Molar Refractivity 164.45

Admin

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