LIPID MAPS

Structure Database (LMSD)

Download as... MDLMOL SDF CSV TSV PNG SVG

Common Name

Cer(d18:1/22:1(13Z))-d7

Systematic Name

N-(13Z-docosenoyl)-sphing-4-enine-16,16,17,17,18,18,18-d7

Synonyms

N-erucoyl-D-erythro-sphingosine (d7)

LM ID

LMSP02010225

Formula

C₄₀H₇₀D₇NO₃

Exact Mass

Calculate m/z

626.634282

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)

YHMJTZZWEXBHQK-JYLWQIILSA-N

InChi (Click to copy)

InChI=1S/C40H77NO3/c1-3-5-7-9-11-13-15-17-18-19-20-21-22-24-26-28-30-32-34-36-40(44)41-38(37-42)39(43)35-33-31-29-27-25-23-16-14-12-10-8-6-4-2/h17-18,33,35,38-39,42-43H,3-16,19-32,34,36-37H2,1-2H3,(H,41,44)/b18-17-,35-33+/t38-,39+/m0/s1/i2D3,4D2,6D2

SMILES (Click to copy)

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

Other Databases

PubChem CID

146035665

Avanti ID

860745-c221-ceramide-d7-d181-d7221

Calculated Physicochemical Properties

Heavy Atoms 44

Rings

Aromatic Rings

Rotatable Bonds 35

Van der Waals Molecular Volume 730.01

Topological Polar Surface Area 69.56

Hydrogen Bond Donors 3

Hydrogen Bond Acceptors 4

logP 12.54

Molar Refractivity 194.68

Admin

Created at

25th Mar 2025

Updated at