LIPID MAPS

Structure Database (LMSD)

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Common Name

Cholesteryl 8Z-heptadecenoate

Systematic Name

cholest-5-en-3β-yl (8Z-heptadecenoate)

Synonyms

LM ID

LMST01020165

Formula

C₄₄H₇₆O₂

Exact Mass

Calculate m/z

636.584531

Sum Composition

CE 17:1

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)

YYQURYWZROGHIO-LGJFDSJKSA-N

InChi (Click to copy)

InChI=1S/C44H76O2/c1-7-8-9-10-11-12-13-14-15-16-17-18-19-20-24-42(45)46-37-29-31-43(5)36(33-37)25-26-38-40-28-27-39(35(4)23-21-22-34(2)3)44(40,6)32-30-41(38)43/h14-15,25,34-35,37-41H,7-13,16-24,26-33H2,1-6H3/b15-14-/t35-,37+,38+,39-,40+,41+,43+,44-/m1/s1

SMILES (Click to copy)

[C@]12(CC=C3C[C@@H](OC(CCCCCC/C=C\CCCCCCCC)=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]