LIPID MAPS

Structure Database (LMSD)

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Common Name

Cer(d18:1/20:1(11Z))-d7

Systematic Name

N-(11Z-eicosenoyl)-sphing-4-enine-16,16,17,17,18,18,18-d7

Synonyms

N-eicos-11-enoyl-D-erythro-sphingosine-d7

LM ID

LMSP02010226

Formula

C₃₈H₆₆D₇NO₃

Exact Mass

Calculate m/z

598.602982

Status

Curated

Show lipids differing only in stereochemistry/bond geometry

Classification

References

Taxonomy Information

Curated from

NCBI taxonomy class

Reference

synthetic construct (#32630)

Synthetic deuterated standard

String Representations

InChiKey (Click to copy)

VJSANVIMIYPTLW-ZAWGKZLXSA-N

InChi (Click to copy)

InChI=1S/C38H73NO3/c1-3-5-7-9-11-13-15-17-18-19-20-22-24-26-28-30-32-34-38(42)39-36(35-40)37(41)33-31-29-27-25-23-21-16-14-12-10-8-6-4-2/h17-18,31,33,36-37,40-41H,3-16,19-30,32,34-35H2,1-2H3,(H,39,42)/b18-17-,33-31+/t36-,37+/m0/s1/i2D3,4D2,6D2

SMILES (Click to copy)

[C@](CO)([H])(NC(CCCCCCCCC/C=C\CCCCCCCC)=O)[C@]([H])(O)/C=C/CCCCCCCCCCC([2H])([2H])C([2H])([2H])C([2H])([2H])[2H]

Other Databases

PubChem CID

146035657

Avanti ID

860746-c201-ceramide-d7-d181-d7201

Calculated Physicochemical Properties

Heavy Atoms 42

Rings

Aromatic Rings

Rotatable Bonds 33

Van der Waals Molecular Volume 695.41

Topological Polar Surface Area 69.56

Hydrogen Bond Donors 3

Hydrogen Bond Acceptors 4

logP 11.76

Molar Refractivity 185.44

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Created at

25th Mar 2025

Updated at