LIPID MAPS

Structure Database (LMSD)

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Common Name

type IV H(d18:1/26:1(17Z))

Systematic Name

Fucα1-2Galβ1-3GalNAcβ1-3Galα1-4Galβ1-4Glcβ-Cer(d18:1/26:1(17Z))

Synonyms

LM ID

LMSP0502AI08

Formula

C₈₂H₁₄₈N₂O₃₂

Exact Mass

Calculate m/z

1673.001528

Sum Composition

Hex(4)-HexNAc-Fuc-Cer 44:2;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

Reactions

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String Representations

InChiKey (Click to copy)

ZMLQPJQDIUTOHN-GIXNZKRESA-N

InChi (Click to copy)

InChI=1S/C82H148N2O32/c1-5-7-9-11-13-15-17-19-20-21-22-23-24-25-26-27-28-30-32-34-36-38-40-42-58(92)84-51(52(91)41-39-37-35-33-31-29-18-16-14-12-10-8-6-2)48-105-78-69(102)66(99)72(56(46-88)110-78)112-80-70(103)67(100)73(57(47-89)111-80)113-81-71(104)75(63(96)55(45-87)108-81)115-77-59(83-50(4)90)74(62(95)54(44-86)107-77)114-82-76(65(98)61(94)53(43-85)109-82)116-79-68(101)64(97)60(93)49(3)106-79/h19-20,39,41,49,51-57,59-82,85-89,91,93-104H,5-18,21-38,40,42-48H2,1-4H3,(H,83,90)(H,84,92)/b20-19-,41-39+/t49-,51+,52-,53-,54-,55-,56-,57-,59-,60-,61+,62+,63+,64-,65+,66-,67-,68+,69-,70-,71-,72-,73+,74-,75+,76-,77+,78-,79-,80+,81-,82+/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(CCCCCCCCCCCCCCC/C=C\CCCCCCCC)=O)[C@]([H])(O)/C=C/CCCCCCCCCCCCC