LIPID MAPS

Structure Database (LMSD)

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Common Name

Cer(d19:1/18:0)

Systematic Name

N-(octadecanoyl)-4E-nonadeca-sphingenine

Synonyms

LM ID

LMSP02010219

Formula

C₃₇H₇₃NO₃

Exact Mass

Calculate m/z

579.559044

Sum Composition

Cer 37:1;O2

Abbrev Chains

Cer 19:1;O2/18:0

Status

Active

Show lipids differing only in stereochemistry/bond geometry

Predict MS/MS spectrum ([M-H]-)

Main

Classification

String Representations

InChiKey (Click to copy)

SYNRTDHNHQROOQ-RQDJVNCUSA-N

InChi (Click to copy)

InChI=1S/C37H73NO3/c1-3-5-7-9-11-13-15-17-19-21-23-25-27-29-31-33-37(41)38-35(34-39)36(40)32-30-28-26-24-22-20-18-16-14-12-10-8-6-4-2/h30,32,35-36,39-40H,3-29,31,33-34H2,1-2H3,(H,38,41)/b32-30+/t35-,36+/m0/s1

SMILES (Click to copy)

[C@](CO)([H])(NC(CCCCCCCCCCCCCCCCC)=O)[C@]([H])(O)/C=C/CCCCCCCCCCCCCC

References

Taxonomy Information

Curated from

NCBI taxonomy class

Reference

Negombata (#81542)

Demospongiae (#6042)

Lipidomics reveals a remarkable diversity of lipids in human plasma,
J Lipid Res, 2010

Pubmed ID: 20671299

DOI: 10.1194/jlr.M009449

Other Databases

PubChem CID

134768575

Calculated Physicochemical Properties

Heavy Atoms 41

Rings 0

Aromatic Rings 0

Rotatable Bonds 33

Van der Waals Molecular Volume 680.75

Topological Polar Surface Area 69.56

Hydrogen Bond Donors 3

Hydrogen Bond Acceptors 4

logP 11.59

Molar Refractivity 180.92

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Created at

26th Feb 2021

Updated at