Structure Database (LMSD)

Common Name
Cer(d16:0(15Me)/16:0(3OH[R])(15Me)
Systematic Name
N-(15-methylhexdecanoyl)-15-methylhexadecasphinganine
Synonyms
  • Cer 17:0
  • 3OH[R],15Me/17:0,3OH[R],15Me
LM ID
LMSP02020079
Formula
C34H69NO4
Exact Mass
Calculate m/z
555.52266
Sum Composition
Cer 34:0;O3
Abbrev Chains
Cer 17:0;O2/17:0;O
Status
Curated
Show lipids differing only in stereochemistry/bond geometry

Classification

Category
Main Class
Sub Class
Sphingolipids [SP]
Ceramides [SP02]
N-acylsphinganines (dihydroceramides) [SP0202]

References

Comments
Submitted by B Spenceley & D Campopiano

Taxonomy Information

Curated from
NCBI taxonomy class
Reference
Bacteroides fragilis (#817)
Bacteroidia (#200643)
Production of α-galactosylceramide by a prominent member of the human gut microbiota.,
PLoS Biol, 2013
Pubmed ID: 23874157

String Representations

InChiKey (Click to copy)
KRWLHMUUYKDQQI-XKKJXBDVSA-N
InChi (Click to copy)
InChI=1S/C34H69NO4/c1-29(2)23-19-15-11-7-5-9-13-17-21-25-31(37)27-34(39)35-32(28-36)33(38)26-22-18-14-10-6-8-12-16-20-24-30(3)4/h29-33,36-38H,5-28H2,1-4H3,(H,35,39)/t31-,32+,33-/m1/s1
SMILES (Click to copy)
[C@](CO)([H])(NC(C[C@H](O)CCCCCCCCCCCC(C)C)=O)[C@]([H])(O)CCCCCCCCCCCC(C)C

Other Databases

PubChem CID
117783766

Calculated Physicochemical Properties

Heavy Atoms 39
Rings
Aromatic Rings
Rotatable Bonds 29
Van der Waals Molecular Volume 640.28
Topological Polar Surface Area 89.79
Hydrogen Bond Donors 4
Hydrogen Bond Acceptors 5
logP 9.61
Molar Refractivity 168.92

Admin

Created at
7th Jul 2026
Updated at
7th Jul 2026