LIPID MAPS

Structure Database (LMSD)

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Common Name

KDN-(2-6)-neolactotetraosylceramide/sialyl-(2-6)-paragloboside(d18:1/20:0)

Systematic Name

KDNα2-6Galβ1-4GlcNAcβ1-3Galβ1-4Glcβ-Cer(d18:1/20:0)

Synonyms

LM ID

LMSP0601GG03

Formula

C₇₃H₁₃₂N₂O₃₁

Exact Mass

Calculate m/z

1532.881413

Sum Composition

Hex(3)-HexNAc-KDN-Cer 38:1;O2

Status

Computationally Generated

Show lipids differing only in stereochemistry/bond geometry

Classification

Biological Context

String Representations

InChiKey (Click to copy)

OLOVKZGZMRIUQK-MZZZOFBASA-N

InChi (Click to copy)

InChI=1S/C73H132N2O31/c1-4-6-8-10-12-14-16-18-19-20-21-23-25-27-29-31-33-35-52(84)75-44(45(81)34-32-30-28-26-24-22-17-15-13-11-9-7-5-2)41-97-69-62(93)60(91)65(50(40-79)101-69)104-71-63(94)66(57(88)48(38-77)99-71)105-68-53(74-43(3)80)58(89)64(49(39-78)100-68)103-70-61(92)59(90)56(87)51(102-70)42-98-73(72(95)96)36-46(82)54(85)67(106-73)55(86)47(83)37-76/h32,34,44-51,53-71,76-79,81-83,85-94H,4-31,33,35-42H2,1-3H3,(H,74,80)(H,75,84)(H,95,96)/b34-32+/t44-,45+,46-,47+,48+,49+,50+,51+,53+,54+,55+,56-,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](O[C@@H]3O[C@H](CO)[C@@H](O[C@@H]4O[C@H](CO[C@]5(O[C@@]([H])([C@H](O)[C@H](O)CO)[C@H](O)[C@@H](O)C5)C(O)=O)[C@H](O)[C@H](O)[C@H]4O)[C@H](O)[C@H]3NC(=O)C)[C@H]2O)[C@H](O)[C@H]1O)([H])(NC(CCCCCCCCCCCCCCCCCCC)=O)[C@]([H])(O)/C=C/CCCCCCCCCCCCC