LIPID MAPS

Structure Database (LMSD)

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Common Name

type IV H(d18:1/18:0)

Systematic Name

Fucα1-2Galβ1-3GalNAcβ1-3Galα1-4Galβ1-4Glcβ-Cer(d18:1/18:0)

Synonyms

LM ID

LMSP0502AI02

Formula

C₇₄H₁₃₄N₂O₃₂

Exact Mass

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1562.891978

Sum Composition

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

Status

Computationally Generated

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Classification

Biological Context

Reactions

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String Representations

InChiKey (Click to copy)

JJLGBWXCAOWRKS-VNGAJBCRSA-N

InChi (Click to copy)

InChI=1S/C74H134N2O32/c1-5-7-9-11-13-15-17-19-20-22-24-26-28-30-32-34-50(84)76-43(44(83)33-31-29-27-25-23-21-18-16-14-12-10-8-6-2)40-97-70-61(94)58(91)64(48(38-80)102-70)104-72-62(95)59(92)65(49(39-81)103-72)105-73-63(96)67(55(88)47(37-79)100-73)107-69-51(75-42(4)82)66(54(87)46(36-78)99-69)106-74-68(57(90)53(86)45(35-77)101-74)108-71-60(93)56(89)52(85)41(3)98-71/h31,33,41,43-49,51-74,77-81,83,85-96H,5-30,32,34-40H2,1-4H3,(H,75,82)(H,76,84)/b33-31+/t41-,43+,44-,45-,46-,47-,48-,49-,51-,52-,53+,54+,55+,56-,57+,58-,59-,60+,61-,62-,63-,64-,65+,66-,67+,68-,69+,70-,71-,72+,73-,74+/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](O)[C@H](O[C@@H]5O[C@H](CO)[C@H](O)[C@H](O)[C@H]5O[C@H]5O[C@H](C)[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(CCCCCCCCCCCCCCCCC)=O)[C@]([H])(O)/C=C/CCCCCCCCCCCCC