LIPID MAPS

Structure Database (LMSD)

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Common Name

KDN-GM2(d18:1/26:1(17Z))

Systematic Name

GalNAcβ1-4(KDNα2-3)Galβ1-4Glcβ-Cer(d18:1/26:1(17Z))

Synonyms

LM ID

LMSP0601DG08

Formula

C₇₃H₁₃₂N₂O₂₆

Exact Mass

Calculate m/z

1452.90684

Sum Composition

Hex(2)-HexNAc-KDN-Cer 44:2;O2

Status

Computationally Generated

Show lipids differing only in stereochemistry/bond geometry

Classification

String Representations

InChiKey (Click to copy)

WZNFAQPQNAVZPL-XJWHGSDKSA-N

InChi (Click to copy)

InChI=1S/C73H132N2O26/c1-4-6-8-10-12-14-16-18-19-20-21-22-23-24-25-26-27-29-31-33-35-37-39-41-56(84)75-49(50(81)40-38-36-34-32-30-28-17-15-13-11-9-7-5-2)47-94-70-63(90)62(89)65(54(45-78)96-70)98-71-64(91)68(101-73(72(92)93)42-51(82)58(85)67(100-73)59(86)52(83)43-76)66(55(46-79)97-71)99-69-57(74-48(3)80)61(88)60(87)53(44-77)95-69/h18-19,38,40,49-55,57-71,76-79,81-83,85-91H,4-17,20-37,39,41-47H2,1-3H3,(H,74,80)(H,75,84)(H,92,93)/b19-18-,40-38+/t49-,50+,51-,52+,53+,54+,55+,57+,58+,59+,60-,61+,62+,63+,64+,65+,66-,67+,68+,69-,70+,71-,73-/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](CO)[C@H](O)[C@H](O)[C@H]3NC(=O)C)[C@H](O[C@]3(O[C@@]([H])([C@H](O)[C@H](O)CO)[C@H](O)[C@@H](O)C3)C(O)=O)[C@H]2O)[C@H](O)[C@H]1O)([H])(NC(CCCCCCCCCCCCCCC/C=C\CCCCCCCC)=O)[C@]([H])(O)/C=C/CCCCCCCCCCCCC