LIPID MAPS

Structure Database (LMSD)

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Common Name

Campestanyl-18:1

Systematic Name

Campest-3β-yl-(9Z-octadecenoate)

Synonyms

LM ID

LMST01020097

Formula

C₄₆H₈₂O₂

Exact Mass

Calculate m/z

666.63148

Status

Active

Show lipids differing only in stereochemistry/bond geometry

Main

Classification

String Representations

InChiKey (Click to copy)

MIFQIOVONOEWLL-RSRHMZGRSA-N

InChi (Click to copy)

InChI=1S/C46H82O2/c1-8-9-10-11-12-13-14-15-16-17-18-19-20-21-22-23-44(47)48-39-30-32-45(6)38(34-39)26-27-40-42-29-28-41(46(42,7)33-31-43(40)45)37(5)25-24-36(4)35(2)3/h15-16,35-43H,8-14,17-34H2,1-7H3/b16-15-/t36-,37-,38+,39+,40+,41-,42+,43+,45+,46-/m1/s1

SMILES (Click to copy)

C1[C@]2(C)[C@@]3([H])CC[C@]4(C)[C@@]([H])([C@]([H])(C)CC[C@@H](C)C(C)C)CC[C@@]4([H])[C@]3([H])CC[C@@]2([H])C[C@@H](OC(CCCCCCC/C=C\CCCCCCCC)=O)C1

References

Taxonomy Information

Curated from

NCBI taxonomy class

Reference

Viridiplantae (#33090)

An approach based on ultrahigh performance liquid chromatography-atmospheric pressure chemical ionization-mass spectrometry allowing the quantification of both individual phytosteryl and phytostanyl fatty acid esters in complex mixtures.,
J Chromatogr A, 2016

Pubmed ID: 26718186