LIPID MAPS

Structure Database (LMSD)

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Common Name

globo-Lex-9(d18:1/22:0)

Systematic Name

Galβ1-4(Fucα1-3)GlcNAcβ1-6(Galβ1-3)GalNAcβ1-3Galα1-4Galβ1-4Glcβ-Cer(d18:1/22:0)

Synonyms

LM ID

LMSP0502AH04

Formula

C₉₂H₁₆₅N₃O₄₂

Exact Mass

Calculate m/z

1984.086777

Sum Composition

Hex(5)-HexNAc(2)-Fuc-Cer 40:1;O2

Status

Computationally Generated

Show lipids differing only in stereochemistry/bond geometry

Classification

Biological Context

Reactions

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String Representations

InChiKey (Click to copy)

ORESGZDXPZMTRL-IESPHPJPSA-N

InChi (Click to copy)

InChI=1S/C92H165N3O42/c1-6-8-10-12-14-16-18-20-21-22-23-24-25-27-29-31-33-35-37-39-60(105)95-51(52(104)38-36-34-32-30-28-26-19-17-15-13-11-9-7-2)46-122-87-76(119)71(114)79(56(43-99)129-87)132-91-77(120)72(115)80(57(44-100)130-91)133-92-78(121)84(66(109)55(42-98)127-92)137-86-61(93-49(4)102)82(135-90-75(118)70(113)65(108)54(41-97)126-90)67(110)59(131-86)47-123-85-62(94-50(5)103)83(136-88-73(116)68(111)63(106)48(3)124-88)81(58(45-101)128-85)134-89-74(117)69(112)64(107)53(40-96)125-89/h36,38,48,51-59,61-92,96-101,104,106-121H,6-35,37,39-47H2,1-5H3,(H,93,102)(H,94,103)(H,95,105)/b38-36+/t48-,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-/m1/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@H](O)[C@H](O[C@@H]4O[C@H](CO[C@@H]5O[C@H](CO)[C@@H](O[C@@H]6O[C@H](CO)[C@H](O)[C@H](O)[C@H]6O)[C@H](O[C@H]6O[C@H](C)[C@@H](O)[C@@H](O)[C@@H]6O)[C@H]5NC(=O)C)[C@H](O)[C@H](O[C@@H]5O[C@H](CO)[C@H](O)[C@H](O)[C@H]5O)[C@H]4NC(=O)C)[C@H]3O)[C@H](O)[C@H]2O)[C@H](O)[C@H]1O)([H])(NC(CCCCCCCCCCCCCCCCCCCCC)=O)[C@]([H])(O)/C=C/CCCCCCCCCCCCC