LIPID MAPS

Structure Database (LMSD)

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Common Name

Para-Forssman x3b(d18:1/26:0)

Systematic Name

GalNAcβ1-3GalNAcβ1-3Galα1-4Galβ1-4Glcβ-Cer(d18:1/26:0)

Synonyms

LM ID

LMSP0502AD06

Formula

C₇₈H₁₄₃N₃O₂₈

Exact Mass

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1569.985817

Sum Composition

Hex(3)-HexNAc(2)-Cer 44:1;O2

Status

Active (generated by computational methods)

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Classification

Reactions

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String Representations

InChiKey (Click to copy)

WZVCNZBKFKYBKL-HYMNKJPRSA-N

InChi (Click to copy)

InChI=1S/C78H143N3O28/c1-5-7-9-11-13-15-17-19-20-21-22-23-24-25-26-27-28-30-32-34-36-38-40-42-58(90)81-51(52(89)41-39-37-35-33-31-29-18-16-14-12-10-8-6-2)48-100-76-67(97)65(95)70(56(46-85)104-76)106-77-68(98)66(96)71(57(47-86)105-77)107-78-69(99)73(63(93)55(45-84)103-78)109-75-60(80-50(4)88)72(62(92)54(44-83)102-75)108-74-59(79-49(3)87)64(94)61(91)53(43-82)101-74/h39,41,51-57,59-78,82-86,89,91-99H,5-38,40,42-48H2,1-4H3,(H,79,87)(H,80,88)(H,81,90)/b41-39+/t51-,52+,53+,54+,55+,56+,57+,59+,60+,61-,62-,63-,64+,65+,66+,67+,68+,69+,70+,71-,72+,73-,74-,75-,76+,77-,78+/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]3O[C@H](CO)[C@H](O)[C@H](O[C@@H]4O[C@H](CO)[C@H](O)[C@H](O[C@@H]5O[C@H](CO)[C@H](O)[C@H](O)[C@H]5NC(=O)C)[C@H]4NC(=O)C)[C@H]3O)[C@H](O)[C@H]2O)[C@H](O)[C@H]1O)([H])(NC(CCCCCCCCCCCCCCCCCCCCCCCCC)=O)[C@]([H])(O)/C=C/CCCCCCCCCCCCC