LIPID MAPS

Structure Database (LMSD)

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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

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

DOI: 10.1194/jlr.RA120000671

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

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Created at

28th Apr 2020

Updated at