LIPID MAPS

Structure Database (LMSD)

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Common Name

Copepodamide C

Systematic Name

5-(octadeca-6Z,9Z,12Z,15Z-tetraenoyl)oxy-15-hydroxy-3,7R,11S,15-tetramethyl-hexadecanoylaminoethanesulfonic acid

Synonyms

LM ID

LMPR0104010049

Formula

C₄₀H₇₁NO₇S

Exact Mass

Calculate m/z

709.495126

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)

YVOJFKRKNYYIQH-FJYLMUQKSA-N

InChi (Click to copy)

InChI=1S/C40H71NO7S/c1-7-8-9-10-11-12-13-14-15-16-17-18-19-20-21-27-39(43)48-37(32-36(4)33-38(42)41-29-30-49(45,46)47)31-35(3)25-22-24-34(2)26-23-28-40(5,6)44/h8-9,11-12,14-15,17-18,34-37,44H,7,10,13,16,19-33H2,1-6H3,(H,41,42)(H,45,46,47)/b9-8-,12-11-,15-14-,18-17-/t34-,35+,36?,37?/m0/s1

SMILES (Click to copy)

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