LIPID MAPS

Structure Database (LMSD)

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Common Name

GM1alpha(d18:1/24:1(15Z))

Systematic Name

Galβ1-3(NeuAcα2-6)GalNAcβ1-4Galβ1-4Glcβ-Cer(d18:1/24:1(15Z))

Synonyms

LM ID

LMSP0601BM07

Formula

C₇₉H₁₄₁N₃O₃₁

Exact Mass

Calculate m/z

1627.954912

Sum Composition

Hex(3)-HexNAc-NeuAc-Cer 42:2;O2

Status

Active (generated by computational methods)

Show lipids differing only in stereochemistry/bond geometry

No other lipid differing only in stereochemistry/bond geometry found

Classification

String Representations

InChiKey (Click to copy)

PMFAYDOGAAQGCE-NTFBBGLYSA-N

InChi (Click to copy)

InChI=1S/C79H141N3O31/c1-5-7-9-11-13-15-17-19-20-21-22-23-24-25-26-28-30-32-34-36-38-40-58(92)82-50(51(89)39-37-35-33-31-29-27-18-16-14-12-10-8-6-2)46-104-75-68(100)65(97)71(55(44-85)107-75)111-77-69(101)66(98)70(56(45-86)108-77)110-74-60(81-49(4)88)72(112-76-67(99)64(96)62(94)54(43-84)106-76)63(95)57(109-74)47-105-79(78(102)103)41-52(90)59(80-48(3)87)73(113-79)61(93)53(91)42-83/h19-20,37,39,50-57,59-77,83-86,89-91,93-101H,5-18,21-36,38,40-47H2,1-4H3,(H,80,87)(H,81,88)(H,82,92)(H,102,103)/b20-19-,39-37+/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]3O[C@H](CO[C@]4(O[C@@]([H])([C@H](O)[C@H](O)CO)[C@H](NC(=O)C)[C@@H](O)C4)C(O)=O)[C@H](O)[C@H](O[C@@H]4O[C@H](CO)[C@H](O)[C@H](O)[C@H]4O)[C@H]3NC(=O)C)[C@H](O)[C@H]2O)[C@H](O)[C@H]1O)([H])(NC(CCCCCCCCCCCCC/C=C\CCCCCCCC)=O)[C@]([H])(O)/C=C/CCCCCCCCCCCCC