Structure Database (LMSD)

Common Name
meCer(d19:1/16:0)
Systematic Name
N-(hexadecanoyl)-16S-methylsphing-4-enine
Synonyms
LM ID
LMSP02010222
Formula
C35H69NO3
Exact Mass
Calculate m/z
551.527744
Sum Composition
Cer 35:1;O2
Abbrev Chains
Cer 19:1;O2/16:0
Status
Active
Show lipids differing only in stereochemistry/bond geometry

Classification

Category
Main Class
Sub Class
Sphingolipids [SP]
Ceramides [SP02]
N-acylsphingosines (ceramides) [SP0201]

References

Taxonomy Information

Curated from
NCBI taxonomy class
Reference
Homo sapiens (#9606)
Mammalia (#40674)
Subunit composition of the mammalian serine-palmitoyltransferase defines the spectrum of straight and methyl-branched long-chain bases.,
Proc Natl Acad Sci U S A, 2020
Pubmed ID: 32576697

String Representations

InChiKey (Click to copy)
WQECNKMMDDVWKY-IVMOLUSOSA-N
InChi (Click to copy)
InChI=1S/C35H69NO3/c1-4-6-7-8-9-10-11-12-13-18-21-24-27-30-35(39)36-33(31-37)34(38)29-26-23-20-17-15-14-16-19-22-25-28-32(3)5-2/h26,29,32-34,37-38H,4-25,27-28,30-31H2,1-3H3,(H,36,39)/b29-26+/t32-,33-,34+/m0/s1
SMILES (Click to copy)
[C@](CO)([H])(NC(CCCCCCCCCCCCCCC)=O)[C@]([H])(O)/C=C/CCCCCCCCCC[C@@H](C)CC

Other Databases

PubChem CID
171116419

Calculated Physicochemical Properties

Heavy Atoms 39
Rings 0
Aromatic Rings 0
Rotatable Bonds 30
Van der Waals Molecular Volume 646.15
Topological Polar Surface Area 69.56
Hydrogen Bond Donors 3
Hydrogen Bond Acceptors 4
logP 10.67
Molar Refractivity 171.61

Admin

Created at
13th Jun 2023
Updated at
13th Jun 2023