LIPID MAPS

Structure Database (LMSD)

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Systematic Name

Manα1-3Manβ1-4Glcβ-Cer(d18:1/16:0)

Synonyms

LM ID

LMSP0507AA01

Formula

C₅₂H₉₇NO₁₈

Exact Mass

Calculate m/z

1023.670569

Sum Composition

Hex(3)-Cer 34:1;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)

OLNGQWNMMKYGTK-RFJGYJSBSA-N

InChi (Click to copy)

InChI=1S/C52H97NO18/c1-3-5-7-9-11-13-15-17-19-21-23-25-27-29-36(57)35(53-40(58)30-28-26-24-22-20-18-16-14-12-10-8-6-4-2)34-66-50-46(64)44(62)48(39(33-56)69-50)70-52-47(65)49(42(60)38(32-55)68-52)71-51-45(63)43(61)41(59)37(31-54)67-51/h27,29,35-39,41-52,54-57,59-65H,3-26,28,30-34H2,1-2H3,(H,53,58)/b29-27+/t35-,36+,37+,38+,39+,41+,42+,43-,44+,45-,46+,47-,48+,49-,50+,51+,52-/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(CCCCCCCCCCCCCCC)=O)[C@]([H])(O)/C=C/CCCCCCCCCCCCC