Structure Database (LMSD)

Common Name
Cer(d15:1/16:0)
Systematic Name
N-(hexadecanoyl)-4E-pentadeca-sphingenine
Synonyms
LM ID
LMSP02010220
Formula
Exact Mass
Calculate m/z
495.465144
Sum Composition
Abbrev Chains
Cer 15:1;O2/16:0
Status
Active


Main

Classification

String Representations

InChiKey (Click to copy)
JNWJZVAXJHXHJW-INXZUHKUSA-N
InChi (Click to copy)
InChI=1S/C31H61NO3/c1-3-5-7-9-11-13-15-16-17-19-21-23-25-27-31(35)32-29(28-33)30(34)26-24-22-20-18-14-12-10-8-6-4-2/h24,26,29-30,33-34H,3-23,25,27-28H2,1-2H3,(H,32,35)/b26-24+/t29-,30+/m0/s1
SMILES (Click to copy)
[C@](CO)([H])(NC(CCCCCCCCCCCCCCC)=O)[C@]([H])(O)/C=C/CCCCCCCCCC

References

Taxonomy Information

Curated from
NCBI taxonomy class
Reference
Negombata (#81542)
Demospongiae (#6042)
Lipidomics reveals a remarkable diversity of lipids in human plasma,
J Lipid Res, 2010
Pubmed ID: 20671299

Other Databases

PubChem CID

Calculated Physicochemical Properties

Heavy Atoms 35
Rings 0
Aromatic Rings 0
Rotatable Bonds 27
Van der Waals Molecular Volume 576.95
Topological Polar Surface Area 69.56
Hydrogen Bond Donors 3
Hydrogen Bond Acceptors 4
logP 9.25
Molar Refractivity 153.22

Admin

Created at
26th Feb 2021
Updated at
26th Feb 2021