LIPID MAPS

Structure Database (LMSD)

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Common Name

Cer(d18:1/16:1(9Z))-d7

Systematic Name

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

Synonyms

N-palmitoleoyl-D-erythro-sphingosine-d7

LM ID

LMSP02010228

Formula

C₃₄H₅₈D₇NO₃

Exact Mass

Calculate m/z

542.540382

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)

ZXPULTKTJOBQPE-NWGIQDPJSA-N

InChi (Click to copy)

InChI=1S/C34H65NO3/c1-3-5-7-9-11-13-15-17-19-21-23-25-27-29-33(37)32(31-36)35-34(38)30-28-26-24-22-20-18-16-14-12-10-8-6-4-2/h14,16,27,29,32-33,36-37H,3-13,15,17-26,28,30-31H2,1-2H3,(H,35,38)/b16-14-,29-27+/t32-,33+/m0/s1/i1D3,3D2,5D2

SMILES (Click to copy)

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

Other Databases

PubChem CID

146035672

Avanti ID

860748-c161-ceramide-d7-d181-d7161

Calculated Physicochemical Properties

Heavy Atoms 38

Rings

Aromatic Rings

Rotatable Bonds 29

Van der Waals Molecular Volume 626.21

Topological Polar Surface Area 69.56

Hydrogen Bond Donors 3

Hydrogen Bond Acceptors 4

logP 10.20

Molar Refractivity 166.97

Admin

Created at

25th Mar 2025

Updated at