LIPID MAPS

Structure Database (LMSD)

Download as... MDLMOL SDF CSV TSV PNG SVG

Common Name

Cer(d18:1/18:1(9Z))-d7

Systematic Name

N-(9Z-octadecenoyl)-sphing-4-enine-16,16,17,17,18,18,18-d7

Synonyms

N-oleoyl-D-erythro-sphingosine-d7

LM ID

LMSP02010227

Formula

C₃₆H₆₂D₇NO₃

Exact Mass

Calculate m/z

570.571682

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)

OBFSLMQLPNKVRW-VUEBXAGJSA-N

InChi (Click to copy)

InChI=1S/C36H69NO3/c1-3-5-7-9-11-13-15-17-18-20-22-24-26-28-30-32-36(40)37-34(33-38)35(39)31-29-27-25-23-21-19-16-14-12-10-8-6-4-2/h17-18,29,31,34-35,38-39H,3-16,19-28,30,32-33H2,1-2H3,(H,37,40)/b18-17-,31-29+/t34-,35+/m0/s1/i2D3,4D2,6D2

SMILES (Click to copy)

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

Other Databases

PubChem CID

146035635

Avanti ID

860747-c181-ceramide-d7-d181-d7181

Calculated Physicochemical Properties

Heavy Atoms 40

Rings

Aromatic Rings

Rotatable Bonds 31

Van der Waals Molecular Volume 660.81

Topological Polar Surface Area 69.56

Hydrogen Bond Donors 3

Hydrogen Bond Acceptors 4

logP 10.98

Molar Refractivity 176.21

Admin

Created at

25th Mar 2025

Updated at