LIPID MAPS

Structure Database (LMSD)

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Common Name

CerPE(d16:0(15Me)/16:0(3OH[R])(15Me)

Systematic Name

N-(15-methylhexdecanoyl)-15-methylhexadecasphinganine-1-phosphoethanolamine

Synonyms

Cer 17:0
3OH[R],15Me/17:0,3OH[R],15Me

LM ID

LMSP03020104

Formula

C₃₆H₇₅N₂O₇P

Exact Mass

Calculate m/z

678.531189

Sum Composition

CerPE 34:0;O3

Abbrev Chains

CerPE 17:0;O2/17:0;O

Status

Curated

Show lipids differing only in stereochemistry/bond geometry

Classification

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

DOI: 10.1371/journal.pbio.1001610

String Representations

InChiKey (Click to copy)

PTJXIDJPFCGLST-GVBYMILNSA-N

InChi (Click to copy)

InChI=1S/C36H75N2O7P/c1-31(2)23-19-15-11-7-5-9-13-17-21-25-33(39)29-36(41)38-34(30-45-46(42,43)44-28-27-37)35(40)26-22-18-14-10-6-8-12-16-20-24-32(3)4/h31-35,39-40H,5-30,37H2,1-4H3,(H,38,41)(H,42,43)/t33-,34+,35-/m1/s1

SMILES (Click to copy)

[C@](COP(O)(=O)OCCN)([H])(NC(C[C@H](O)CCCCCCCCCCCC(C)C)=O)[C@]([H])(O)CCCCCCCCCCCC(C)C

Other Databases

PubChem CID

117783767

Calculated Physicochemical Properties

Heavy Atoms 46

Rings

Aromatic Rings

Rotatable Bonds 34

Van der Waals Molecular Volume 732.08

Topological Polar Surface Area 151.34

Hydrogen Bond Donors 5

Hydrogen Bond Acceptors 9

logP 10.45

Molar Refractivity 193.46

Admin

Created at

8th Jul 2026

Updated at