LIPID MAPS

Structure Database (LMSD)

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Common Name

GM1(d18:1/12:0)

Systematic Name

Galβ1-3GalNAcβ1-4(NeuAcα2-3)Galβ1-4Glcβ-Cer(d18:1/12:0)

Synonyms

LM ID

LMSP0601AP01

Formula

C₆₇H₁₁₉N₃O₃₁

Exact Mass

Calculate m/z

1461.782762

Sum Composition

Hex(3)-HexNAc-NeuAc-Cer 30:1;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

Reactions

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String Representations

InChiKey (Click to copy)

IGYLDXYJGKHLKB-DSKQXYAKSA-N

InChi (Click to copy)

InChI=1S/C67H119N3O31/c1-5-7-9-11-13-15-16-17-18-20-21-23-25-27-39(78)38(70-46(81)28-26-24-22-19-14-12-10-8-6-2)35-92-63-55(88)53(86)57(44(33-74)95-63)97-65-56(89)61(101-67(66(90)91)29-40(79)47(68-36(3)76)60(100-67)49(82)41(80)30-71)58(45(34-75)96-65)98-62-48(69-37(4)77)59(51(84)43(32-73)93-62)99-64-54(87)52(85)50(83)42(31-72)94-64/h25,27,38-45,47-65,71-75,78-80,82-89H,5-24,26,28-35H2,1-4H3,(H,68,76)(H,69,77)(H,70,81)(H,90,91)/b27-25+/t38-,39+,40-,41+,42+,43+,44+,45+,47+,48+,49+,50-,51-,52-,53+,54+,55+,56+,57+,58-,59+,60+,61+,62-,63+,64-,65-,67-/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]4O)[C@H]3NC(=O)C)[C@H](O[C@]3(O[C@@]([H])([C@H](O)[C@H](O)CO)[C@H](NC(=O)C)[C@@H](O)C3)C(O)=O)[C@H]2O)[C@H](O)[C@H]1O)([H])(NC(CCCCCCCCCCC)=O)[C@]([H])(O)/C=C/CCCCCCCCCCCCC