LIPID MAPS

Structure Database (LMSD)

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Common Name

Copepodamide B

Systematic Name

5-(eicosa-5Z,8Z,11Z,14Z,17Z-pentaenoyl)oxy-15-hydroxy-3,7R,11S,15-tetramethyl-hexadecanoylaminoethanesulfonic acid

Synonyms

LM ID

LMPR0104010048

Formula

C₄₂H₇₃NO₇S

Exact Mass

Calculate m/z

735.510776

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)

QMKVGFGLEKKMFX-PTGZXRGTSA-N

InChi (Click to copy)

InChI=1S/C42H73NO7S/c1-7-8-9-10-11-12-13-14-15-16-17-18-19-20-21-22-23-29-41(45)50-39(34-38(4)35-40(44)43-31-32-51(47,48)49)33-37(3)27-24-26-36(2)28-25-30-42(5,6)46/h8-9,11-12,14-15,17-18,20-21,36-39,46H,7,10,13,16,19,22-35H2,1-6H3,(H,43,44)(H,47,48,49)/b9-8-,12-11-,15-14-,18-17-,21-20-/t36-,37+,38?,39?/m0/s1

SMILES (Click to copy)

C(CC(C)CC(OC(=O)CCC/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