LIPID MAPS

Structure Database (LMSD)

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Common Name

nLcOse10(d18:1/16:0)

Systematic Name

Galβ1-4GlcNAcβ1-3Galβ1-4GlcNAcβ1-3Galβ1-4GlcNAcβ1-3Galβ1-4GlcNAcβ1-3Galβ1-4Glcβ-Cer(d18:1/16:0)

Synonyms

LM ID

LMSP0505EN01

Formula

C₁₀₂H₁₇₉N₅O₅₃

Exact Mass

Calculate m/z

2322.14654

Sum Composition

Hex(6)-HexNAc(4)-Cer 34:1;O2

Status

Active (generated by computational methods)

Show lipids differing only in stereochemistry/bond geometry

Classification

String Representations

InChiKey (Click to copy)

GXEQNVFPOKCQTO-NKSYNYQKSA-N

InChi (Click to copy)

InChI=1S/C102H179N5O53/c1-7-9-11-13-15-17-19-21-23-25-27-29-31-33-51(122)50(107-62(123)34-32-30-28-26-24-22-20-18-16-14-12-10-8-2)45-141-97-79(136)77(134)88(61(44-117)151-97)156-102-83(140)92(71(128)56(39-112)146-102)160-96-66(106-49(6)121)75(132)87(60(43-116)150-96)155-101-82(139)91(70(127)55(38-111)145-101)159-95-65(105-48(5)120)74(131)86(59(42-115)149-95)154-100-81(138)90(69(126)54(37-110)144-100)158-94-64(104-47(4)119)73(130)85(58(41-114)148-94)153-99-80(137)89(68(125)53(36-109)143-99)157-93-63(103-46(3)118)72(129)84(57(40-113)147-93)152-98-78(135)76(133)67(124)52(35-108)142-98/h31,33,50-61,63-102,108-117,122,124-140H,7-30,32,34-45H2,1-6H3,(H,103,118)(H,104,119)(H,105,120)(H,106,121)(H,107,123)/b33-31+/t50-,51+,52+,53+,54+,55+,56+,57+,58+,59+,60+,61+,63+,64+,65+,66+,67-,68-,69-,70-,71-,72+,73+,74+,75+,76-,77+,78+,79+,80+,81+,82+,83+,84+,85+,86+,87+,88+,89-,90-,91-,92-,93-,94-,95-,96-,97+,98-,99-,100-,101-,102-/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@@H]5O[C@H](CO)[C@@H](O[C@@H]6O[C@H](CO)[C@H](O)[C@H](O[C@@H]7O[C@H](CO)[C@@H](O[C@@H]8O[C@H](CO)[C@H](O)[C@H](O[C@@H]9O[C@H](CO)[C@@H](O[C@@H]%10O[C@H](CO)[C@H](O)[C@H](O)[C@H]%10O)[C@H](O)[C@H]9NC(=O)C)[C@H]8O)[C@H](O)[C@H]7NC(=O)C)[C@H]6O)[C@H](O)[C@H]5NC(=O)C)[C@H]4O)[C@H](O)[C@H]3NC(=O)C)[C@H]2O)[C@H](O)[C@H]1O)([H])(NC(CCCCCCCCCCCCCCC)=O)[C@]([H])(O)/C=C/CCCCCCCCCCCCC