LIPID MAPS

Structure Database (LMSD)

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Common Name

Cer(d16:0/16:0)

Systematic Name

N-(hexadecanoyl)-hexadecasphinganine

Synonyms

N-(palmitoyl)-hexadecasphinganine
Cer[NDS]

LM ID

LMSP02020068

Formula

C₃₂H₆₅NO₃

Exact Mass

Calculate m/z

511.496444

Sum Composition

Cer 32:0;O2

Abbrev Chains

Cer 16:0;O2/16:0

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

Bos taurus (#9913)

Mammalia (#40674)

Comprehensive Characterization of Bovine Milk Lipids: Phospholipids, Sphingolipids, Glycolipids, and Ceramides.,
J Agric Food Chem, 2020

Pubmed ID: 32369354

String Representations

InChiKey (Click to copy)

GFUGOEQVSHGJMI-IOWSJCHKSA-N

InChi (Click to copy)

InChI=1S/C32H65NO3/c1-3-5-7-9-11-13-15-16-18-20-22-24-26-28-32(36)33-30(29-34)31(35)27-25-23-21-19-17-14-12-10-8-6-4-2/h30-31,34-35H,3-29H2,1-2H3,(H,33,36)/t30-,31+/m0/s1

SMILES (Click to copy)

[C@](CO)([H])(NC(CCCCCCCCCCCCCCC)=O)[C@]([H])(O)CCCCCCCCCCCCC

Other Databases

CHEBI ID

82810

PubChem CID

15511094

SwissLipids ID

SLM:000389784

Calculated Physicochemical Properties

Heavy Atoms 36

Rings 0

Aromatic Rings 0

Rotatable Bonds 29

Van der Waals Molecular Volume 596.89

Topological Polar Surface Area 69.56

Hydrogen Bond Donors 3

Hydrogen Bond Acceptors 4

logP 9.86

Molar Refractivity 157.93

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Created at

31st May 2020

Updated at