LIPID MAPS

Structure Database (LMSD)

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Common Name

GM1alpha(d18:1/20:0)

Systematic Name

Galβ1-3(NeuAcα2-6)GalNAcβ1-4Galβ1-4Glcβ-Cer(d18:1/20:0)

Synonyms

LM ID

LMSP0601BM03

Formula

C₇₅H₁₃₅N₃O₃₁

Exact Mass

Calculate m/z

1573.907962

Sum Composition

Hex(3)-HexNAc-NeuAc-Cer 38:1;O2

Status

Computationally Generated

Show lipids differing only in stereochemistry/bond geometry

Classification

String Representations

InChiKey (Click to copy)

ZQXMFLZHCMRVOC-FMDKEZECSA-N

InChi (Click to copy)

InChI=1S/C75H135N3O31/c1-5-7-9-11-13-15-17-19-20-21-22-24-26-28-30-32-34-36-54(88)78-46(47(85)35-33-31-29-27-25-23-18-16-14-12-10-8-6-2)42-100-71-64(96)61(93)67(51(40-81)103-71)107-73-65(97)62(94)66(52(41-82)104-73)106-70-56(77-45(4)84)68(108-72-63(95)60(92)58(90)50(39-80)102-72)59(91)53(105-70)43-101-75(74(98)99)37-48(86)55(76-44(3)83)69(109-75)57(89)49(87)38-79/h33,35,46-53,55-73,79-82,85-87,89-97H,5-32,34,36-43H2,1-4H3,(H,76,83)(H,77,84)(H,78,88)(H,98,99)/b35-33+/t46-,47+,48-,49+,50+,51+,52+,53+,55+,56+,57+,58-,59-,60-,61+,62+,63+,64+,65+,66-,67+,68+,69+,70-,71+,72-,73-,75+/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(CCCCCCCCCCCCCCCCCCC)=O)[C@]([H])(O)/C=C/CCCCCCCCCCCCC