LIPID MAPS

Structure Database (LMSD)

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Common Name

Ectocarpin D

Systematic Name

(5E,8E,11E)-12-{(1'R,2'S,3'S,5'S)-2',3'-dihydroxy-5'-[(1''R)-1''-hydroxypropyl]cyclopentyl}-5,8,11-dodecatrienoic acid

Synonyms

LM ID

LMFA04000106

Formula

C₂₀H₃₂O₅

Exact Mass

Calculate m/z

352.224975

Sum Composition

FA 20:4;O3

Status

Active

Show lipids differing only in stereochemistry/bond geometry

Main

Classification

String Representations

InChiKey (Click to copy)

CUDSMMVJCRGFRR-RWBXRWPUSA-N

InChi (Click to copy)

InChI=1S/C20H32O5/c1-2-17(21)16-14-18(22)20(25)15(16)12-10-8-6-4-3-5-7-9-11-13-19(23)24/h4-7,10,12,15-18,20-22,25H,2-3,8-9,11,13-14H2,1H3,(H,23,24)/b6-4-,7-5-,12-10-/t15-,16+,17-,18+,20+/m0/s1

SMILES (Click to copy)

[C@@H]1(O)[C@@H](/C=C\C/C=C\C/C=C\CCCC(=O)O)[C@]([H])([C@@H](O)CC)C[C@H]1O

References

Comments

Submitted by A.N.Grechkin

Taxonomy Information

Curated from

NCBI taxonomy class

Reference

Ectocarpus siliculosus (#2880)

Phaeophyceae (#2870)

Lipoxygenase pathway in brown algae: The biosynthesis of novel oxylipins 'ectocarpins' by hydroperoxide bicyclase CYP5164A3 of Ectocarpus siliculosus.,
Biochim Biophys Acta Mol Cell Biol Lipids, 2022

Pubmed ID: 35835431