LIPID MAPS

Structure Database (LMSD)

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Common Name

sialosylparagloboside(d18:1/24:0)

Systematic Name

NeuAcα2-3Galβ1-4GlcNAcβ1-3Galβ1-4Glcβ-Cer(d18:1/24:0)

Synonyms

LM ID

LMSP0601EF05

Formula

C₇₉H₁₄₃N₃O₃₁

Exact Mass

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1629.970562

Sum Composition

Hex(3)-HexNAc-NeuAc-Cer 42:1;O2

Status

Active (generated by computational methods)

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Classification

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String Representations

InChiKey (Click to copy)

BPMZJIRXGMSMIM-GRUIPOHHSA-N

InChi (Click to copy)

InChI=1S/C79H143N3O31/c1-5-7-9-11-13-15-17-19-20-21-22-23-24-25-26-28-30-32-34-36-38-40-58(93)82-50(51(90)39-37-35-33-31-29-27-18-16-14-12-10-8-6-2)47-104-75-66(99)65(98)70(57(46-87)108-75)110-76-67(100)72(62(95)54(43-84)105-76)111-74-60(81-49(4)89)64(97)69(56(45-86)107-74)109-77-68(101)73(63(96)55(44-85)106-77)113-79(78(102)103)41-52(91)59(80-48(3)88)71(112-79)61(94)53(92)42-83/h37,39,50-57,59-77,83-87,90-92,94-101H,5-36,38,40-47H2,1-4H3,(H,80,88)(H,81,89)(H,82,93)(H,102,103)/b39-37+/t50-,51+,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-,79-/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]4O[C@H](CO)[C@H](O)[C@H](O[C@]5(O[C@@]([H])([C@H](O)[C@H](O)CO)[C@H](NC(=O)C)[C@@H](O)C5)C(O)=O)[C@H]4O)[C@H](O)[C@H]3NC(=O)C)[C@H]2O)[C@H](O)[C@H]1O)([H])(NC(CCCCCCCCCCCCCCCCCCCCCCC)=O)[C@]([H])(O)/C=C/CCCCCCCCCCCCC