LIPID MAPS

Structure Database (LMSD)

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Common Name

nLcOse10(d18:1/18:0)

Systematic Name

Galβ1-4GlcNAcβ1-3Galβ1-4GlcNAcβ1-3Galβ1-4GlcNAcβ1-3Galβ1-4GlcNAcβ1-3Galβ1-4Glcβ-Cer(d18:1/18:0)

Synonyms

LM ID

LMSP0505EN02

Formula

C₁₀₄H₁₈₃N₅O₅₃

Exact Mass

Calculate m/z

2350.17784

Sum Composition

Hex(6)-HexNAc(4)-Cer 36:1;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

String Representations

InChiKey (Click to copy)

MDIKEHWTYJIMIF-SQXWNBLESA-N

InChi (Click to copy)

InChI=1S/C104H183N5O53/c1-7-9-11-13-15-17-19-21-22-24-26-28-30-32-34-36-64(125)109-52(53(124)35-33-31-29-27-25-23-20-18-16-14-12-10-8-2)47-143-99-81(138)79(136)90(63(46-119)153-99)158-104-85(142)94(73(130)58(41-114)148-104)162-98-68(108-51(6)123)77(134)89(62(45-118)152-98)157-103-84(141)93(72(129)57(40-113)147-103)161-97-67(107-50(5)122)76(133)88(61(44-117)151-97)156-102-83(140)92(71(128)56(39-112)146-102)160-96-66(106-49(4)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(3)120)74(131)86(59(42-115)149-95)154-100-80(137)78(135)69(126)54(37-110)144-100/h33,35,52-63,65-104,110-119,124,126-142H,7-32,34,36-47H2,1-6H3,(H,105,120)(H,106,121)(H,107,122)(H,108,123)(H,109,125)/b35-33+/t52-,53+,54+,55+,56+,57+,58+,59+,60+,61+,62+,63+,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-,103-,104-/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(CCCCCCCCCCCCCCCCC)=O)[C@]([H])(O)/C=C/CCCCCCCCCCCCC