LIPID MAPS

Structure Database (LMSD)

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Common Name

Cholesteryl 8Z-hexadecenoate

Systematic Name

cholest-5-en-3β-yl (8Z-hexadecenoate)

Synonyms

LM ID

LMST01020163

Formula

C₄₃H₇₄O₂

Exact Mass

Calculate m/z

622.568881

Sum Composition

CE 16:1

Status

Curated

Show lipids differing only in stereochemistry/bond geometry

Classification

References

Taxonomy Information

Curated from

NCBI taxonomy class

Reference

Homo sapiens (#9606)

Mammalia (#40674)

Shotgun Lipidomic Profiling of Sebum Lipids via Photocatalyzed Paternò-Büchi Reaction and Ion Mobility-Mass Spectrometry.,
Anal Chem, 2024

Pubmed ID: 38556723

String Representations

InChiKey (Click to copy)

MGQDVZQJSFNVQF-WJDFDRJOSA-N

InChi (Click to copy)

InChI=1S/C43H74O2/c1-7-8-9-10-11-12-13-14-15-16-17-18-19-23-41(44)45-36-28-30-42(5)35(32-36)24-25-37-39-27-26-38(34(4)22-20-21-33(2)3)43(39,6)31-29-40(37)42/h13-14,24,33-34,36-40H,7-12,15-23,25-32H2,1-6H3/b14-13-/t34-,36+,37+,38-,39+,40+,42+,43-/m1/s1

SMILES (Click to copy)

[C@]12(CC=C3C[C@@H](OC(CCCCCC/C=C\CCCCCCC)=O)CC[C@]3(C)[C@@]1([H])CC[C@]1(C)[C@@]([H])([C@@](C)([H])CCCC(C)C)CC[C@@]21[H])[H]