LIPID MAPS

Structure Database (LMSD)

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Common Name

Copepodamide G

Systematic Name

5,15-dihydroxy-3,7R,11S,15-tetramethyl-hexadecanoylaminoethanesulfonic acid

Synonyms

LM ID

LMPR0104010043

Formula

C₂₂H₄₅NO₆S

Exact Mass

Calculate m/z

451.29676

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)

CFJLVNZVNQRHKN-WBYGSUFKSA-N

InChi (Click to copy)

InChI=1S/C22H45NO6S/c1-17(10-7-11-22(4,5)26)8-6-9-18(2)14-20(24)15-19(3)16-21(25)23-12-13-30(27,28)29/h17-20,24,26H,6-16H2,1-5H3,(H,23,25)(H,27,28,29)/t17-,18+,19?,20?/m0/s1

SMILES (Click to copy)

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

Other Databases

PubChem CID

122374822

Calculated Physicochemical Properties

Heavy Atoms 30

Rings

Aromatic Rings

Rotatable Bonds 17

Van der Waals Molecular Volume 468.77

Topological Polar Surface Area 123.93

Hydrogen Bond Donors 4

Hydrogen Bond Acceptors 7

logP 5.94

Molar Refractivity 122.69

Admin

Created at

14th May 2026

Updated at