LIPID MAPS

Structure Database (LMSD)

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Systematic Name

GalNAcα1-3GalNAcβ1-3Galα1-3(GalNAcβ1-4Galβ1-4GlcNAcβ1-6)Galβ1-4Glcβ-Cer(d18:1/18:0)

Synonyms

LM ID

LMSP0506AH02

Formula

C₉₂H₁₆₃N₅O₄₃

Exact Mass

Calculate m/z

2026.07219

Sum Composition

Hex(4)-HexNAc(4)-Cer 36:1;O2

Status

Active (generated by computational methods)

Show lipids differing only in stereochemistry/bond geometry

Main

Classification

String Representations

InChiKey (Click to copy)

MTYJAAKKEMEPLY-AFJRYTKBSA-N

InChi (Click to copy)

InChI=1S/C92H163N5O43/c1-7-9-11-13-15-17-19-21-22-24-26-28-30-32-34-36-60(110)97-50(51(109)35-33-31-29-27-25-23-20-18-16-14-12-10-8-2)44-125-89-75(121)73(119)81(57(42-103)132-89)137-92-78(124)84(140-91-77(123)83(68(114)55(40-101)130-91)139-88-64(96-49(6)108)82(67(113)54(39-100)129-88)138-87-62(94-47(4)106)71(117)66(112)53(38-99)128-87)69(115)59(134-92)45-126-85-63(95-48(5)107)72(118)79(56(41-102)131-85)136-90-76(122)74(120)80(58(43-104)133-90)135-86-61(93-46(3)105)70(116)65(111)52(37-98)127-86/h33,35,50-59,61-92,98-104,109,111-124H,7-32,34,36-45H2,1-6H3,(H,93,105)(H,94,106)(H,95,107)(H,96,108)(H,97,110)/b35-33+/t50-,51+,52+,53+,54+,55+,56+,57+,58+,59+,61+,62+,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-/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]3O[C@H](CO)[C@@H](O[C@@H]4O[C@H](CO)[C@H](O[C@@H]5O[C@H](CO)[C@H](O)[C@H](O)[C@H]5NC(=O)C)[C@H](O)[C@H]4O)[C@H](O)[C@H]3NC(=O)C)[C@H](O)[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]5O[C@H](CO)[C@H](O)[C@H](O)[C@H]5NC(=O)C)[C@H]4NC(=O)C)[C@H]3O)[C@H]2O)[C@H](O)[C@H]1O)([H])(NC(CCCCCCCCCCCCCCCCC)=O)[C@]([H])(O)/C=C/CCCCCCCCCCCCC