LIPID MAPS

Structure Database (LMSD)

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Systematic Name

Manα1-3Manβ1-4Glcβ-Cer(d18:1/18:0)

Synonyms

LM ID

LMSP0507AA02

Formula

C₅₄H₁₀₁NO₁₈

Exact Mass

Calculate m/z

1051.701869

Sum Composition

Hex(3)-Cer 36:1;O2

Status

Active (generated by computational methods)

Show lipids differing only in stereochemistry/bond geometry

Classification

References

Taxonomy Information

Curated from

NCBI taxonomy class

Reference

Mollusca (#6447)

Derived from http://www.sphingomap.org/

String Representations

InChiKey (Click to copy)

SBJWPDBWSODSFG-LGZCWVNPSA-N

InChi (Click to copy)

InChI=1S/C54H101NO18/c1-3-5-7-9-11-13-15-17-18-20-22-24-26-28-30-32-42(60)55-37(38(59)31-29-27-25-23-21-19-16-14-12-10-8-6-4-2)36-68-52-48(66)46(64)50(41(35-58)71-52)72-54-49(67)51(44(62)40(34-57)70-54)73-53-47(65)45(63)43(61)39(33-56)69-53/h29,31,37-41,43-54,56-59,61-67H,3-28,30,32-36H2,1-2H3,(H,55,60)/b31-29+/t37-,38+,39+,40+,41+,43+,44+,45-,46+,47-,48+,49-,50+,51-,52+,53+,54-/m0/s1

SMILES (Click to copy)

[C@](CO[C@@H]1O[C@H](CO)[C@@H](O[C@@H]2O[C@H](CO)[C@@H](O)[C@H](O[C@H]3O[C@H](CO)[C@@H](O)[C@H](O)[C@@H]3O)[C@@H]2O)[C@H](O)[C@H]1O)([H])(NC(CCCCCCCCCCCCCCCCC)=O)[C@]([H])(O)/C=C/CCCCCCCCCCCCC