LIPID MAPS

Structure Database (LMSD)

View 3D

Download as... MDLMOL SDF CSV TSV PNG

Common Name

GT1c(d18:1/26:0)

Systematic Name

Galβ1-3GalNAcβ1-4(NeuAcα2-8NeuAcα2-8NeuAcα2-3)Galβ1-4Glcβ-Cer(d18:1/26:0)

Synonyms

LM ID

LMSP0601AR06

Formula

C₁₀₃H₁₈₁N₅O₄₇

Exact Mass

Calculate m/z

2240.1927

Sum Composition

Hex(3)-HexNAc-NeuAc(3)-Cer 44:1;O2

Status

Active (generated by computational methods)

Show lipids differing only in stereochemistry/bond geometry

Classification

Reactions

Filter by species:

Click on an edge to display the reaction(s).

String Representations

InChiKey (Click to copy)

REUQWHFOYDNKAA-RYDAKGBSSA-N

InChi (Click to copy)

InChI=1S/C103H181N5O47/c1-7-9-11-13-15-17-19-21-22-23-24-25-26-27-28-29-30-32-34-36-38-40-42-44-72(125)108-60(61(120)43-41-39-37-35-33-31-20-18-16-14-12-10-8-2)55-142-95-85(134)83(132)87(70(53-114)145-95)147-97-86(135)93(88(71(54-115)146-97)148-94-76(107-59(6)119)89(79(128)67(50-111)143-94)149-96-84(133)82(131)78(127)66(49-110)144-96)155-103(100(140)141)47-64(123)75(106-58(5)118)92(154-103)81(130)69(52-113)151-102(99(138)139)46-63(122)74(105-57(4)117)91(153-102)80(129)68(51-112)150-101(98(136)137)45-62(121)73(104-56(3)116)90(152-101)77(126)65(124)48-109/h41,43,60-71,73-97,109-115,120-124,126-135H,7-40,42,44-55H2,1-6H3,(H,104,116)(H,105,117)(H,106,118)(H,107,119)(H,108,125)(H,136,137)(H,138,139)(H,140,141)/b43-41+/t60-,61+,62-,63-,64-,65+,66+,67+,68+,69+,70+,71+,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-,101+,102+,103-/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]([C@@H]([C@@H]([C@H]3NC(C)=O)O[C@H]3[C@H](O)[C@@H](O)[C@@H](O)[C@@H](CO)O3)O)CO)[C@H](O[C@]3(O[C@@]([H])([C@H](O)[C@H](O[C@]4(O[C@@]([H])([C@H](O)[C@H](O[C@]5(O[C@@]([H])([C@H](O)[C@H](O)CO)[C@H](NC(=O)C)[C@@H](O)C5)C(O)=O)CO)[C@H](NC(=O)C)[C@@H](O)C4)C(O)=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(CCCCCCCCCCCCCCCCCCCCCCCCC)=O)[C@]([H])(O)/C=C/CCCCCCCCCCCCC