LIPID MAPS

Structure Database (LMSD)

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Common Name

Phalluside-1

Systematic Name

N-(2R-hydroxy-hexadecanoyl)-1-β-glucosyl-9-methyl-sphing-4E,8E,10E-trienine

Synonyms

LM ID

LMSP05010039

Formula

C₄₁H₇₅NO₉

Exact Mass

Calculate m/z

725.544184

Sum Composition

HexCer 35:3;O3

Abbrev Chains

GlcCer 19:3;O2/16:0;O

Status

Curated

Show lipids differing only in stereochemistry/bond geometry

Classification

References

Taxonomy Information

Curated from

NCBI taxonomy class

Reference

Phallusia fumigata (#395376)

Ascidiacea (#7713)

Phallusides, new glucosphingolipids from the ascidian Phallusia fumigata,
Tetrahedron, 1998

DOI: 10.1016/S0040-4020(98)00917-X

String Representations

InChiKey (Click to copy)

ZPIDQCCSHHXKMD-JBOUQQADSA-N

InChi (Click to copy)

InChI=1S/C41H75NO9/c1-4-6-8-10-12-13-14-15-16-18-20-24-29-35(45)40(49)42-33(31-50-41-39(48)38(47)37(46)36(30-43)51-41)34(44)28-25-21-23-27-32(3)26-22-19-17-11-9-7-5-2/h22,25-28,33-39,41,43-48H,4-21,23-24,29-31H2,1-3H3,(H,42,49)/b26-22+,28-25+,32-27+/t33-,34+,35+,36+,37+,38-,39+,41+/m0/s1

SMILES (Click to copy)

C([C@H](NC([C@H](O)CCCCCCCCCCCCCC)=O)[C@H](O)/C=C/CC/C=C(\C)/C=C/CCCCCCC)O[C@H]1[C@H](O)[C@@H](O)[C@H](O)[C@@H](CO)O1