LIPID MAPS

Structure Database (LMSD)

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Common Name

dasc#1

Systematic Name

(6R-(3,6-dideoxy-α-L-arabino-hexopyranosyloxy)-heptanoyl)=4-O-6R-(3,6-dideoxy-α-L-arabino-hexopyranosyloxy)-heptanoic acid

Synonyms

(R)-6-(((2R,3R,5R,6S)-5-(((R)-6-(((2R,3R,5R,6S)-3,5-dihydroxy-6-methyltetrahydro-2H- pyran-2-yl)oxy)heptanoyl)oxy)-3-hydroxy-6-methyltetrahydro-2H-pyran-2-yl)oxy)heptanoic acid

LM ID

LMFA13040150

Formula

C₂₆H₄₆O₁₁

Exact Mass

Calculate m/z

534.304015

Status

Active

Show lipids differing only in stereochemistry/bond geometry

Classification

References

Taxonomy Information

Curated from

NCBI taxonomy class

Reference

Pristionchus pacificus (#54126)

Chromadorea (#119089)

Complex small-molecule architectures regulate phenotypic plasticity in a nematode.,
Angew Chem Int Ed Engl, 2012

Pubmed ID: 23161728

DOI: 10.1002/anie.201206797

String Representations

InChiKey (Click to copy)

ROTVIEONMDYDGI-IHNDJESHSA-N

InChi (Click to copy)

InChI=1S/C26H46O11/c1-15(9-5-7-11-23(30)31)34-26-21(29)14-22(18(4)36-26)37-24(32)12-8-6-10-16(2)33-25-20(28)13-19(27)17(3)35-25/h15-22,25-29H,5-14H2,1-4H3,(H,30,31)/t15-,16-,17+,18+,19-,20-,21-,22-,25-,26-/m1/s1

SMILES (Click to copy)

O([C@@H](CCCCC(=O)O[C@H]1[C@H](C)O[C@@H](O[C@@H](CCCCC(=O)O)C)[C@H](O)C1)C)[C@H]1[C@H](O)C[C@@H](O)[C@H](C)O1