LIPID MAPS

Structure Database (LMSD)

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Common Name

Copepodamide D

Systematic Name

5-[(4Z,7Z,10Z,13Z,16Z,19Z)-docosa-4,7,10,13,16,19-hexaenoyl]oxy-15-hydroxy-7R,11S,15-trimethyl-3-methylidene-hexadecanoylaminoethanesulfonic acid

Synonyms

LM ID

LMPR0104010046

Formula

C₄₄H₇₃NO₇S

Exact Mass

Calculate m/z

759.510776

Status

Curated

Show lipids differing only in stereochemistry/bond geometry

Classification

References

Taxonomy Information

Curated from

NCBI taxonomy class

Reference

Centropages typicus (#463189)

Hexanauplia (#72037)

Predator lipids induce paralytic shellfish toxins in bloom-forming algae.,
Proc Natl Acad Sci U S A, 2015

Pubmed ID: 25918403

DOI: 10.1073/pnas.1420154112

String Representations

InChiKey (Click to copy)

BBYGGWZGGJFOAN-HMRBPNQDSA-N

InChi (Click to copy)

InChI=1S/C44H73NO7S/c1-7-8-9-10-11-12-13-14-15-16-17-18-19-20-21-22-23-24-25-31-43(47)52-41(36-40(4)37-42(46)45-33-34-53(49,50)51)35-39(3)29-26-28-38(2)30-27-32-44(5,6)48/h8-9,11-12,14-15,17-18,20-21,23-24,38-39,41,48H,4,7,10,13,16,19,22,25-37H2,1-3,5-6H3,(H,45,46)(H,49,50,51)/b9-8-,12-11-,15-14-,18-17-,21-20-,24-23-/t38-,39+,41?/m0/s1

SMILES (Click to copy)

C(CC(=C)CC(OC(=O)CC/C=C\C/C=C\C/C=C\C/C=C\C/C=C\C/C=C\CC)C[C@H](C)CCC[C@H](C)CCCC(O)(C)C)(=O)NCCS(=O)(=O)O