LIPID MAPS

Structure Database (LMSD)

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Common Name

KDN(2-6)lactotetraosylceramide(d18:1/16:0)

Systematic Name

KDNα2-6Galβ1-3GlcNAcβ1-3Galβ1-4Glcβ-Cer(d18:1/16:0)

Synonyms

LM ID

LMSP0601EC01

Formula

C₆₉H₁₂₄N₂O₃₁

Exact Mass

Calculate m/z

1476.818813

Sum Composition

Hex(3)-HexNAc-KDN-Cer 34:1;O2

Status

Active (generated by computational methods)

Show lipids differing only in stereochemistry/bond geometry

Classification

String Representations

InChiKey (Click to copy)

XICFBQARRLVGAU-QUZXPNJWSA-N

InChi (Click to copy)

InChI=1S/C69H124N2O31/c1-4-6-8-10-12-14-16-18-20-22-24-26-28-30-41(77)40(71-48(80)31-29-27-25-23-21-19-17-15-13-11-9-7-5-2)37-93-65-58(89)56(87)60(46(36-75)97-65)99-67-59(90)62(54(85)45(35-74)96-67)101-64-49(70-39(3)76)61(53(84)44(34-73)95-64)100-66-57(88)55(86)52(83)47(98-66)38-94-69(68(91)92)32-42(78)50(81)63(102-69)51(82)43(79)33-72/h28,30,40-47,49-67,72-75,77-79,81-90H,4-27,29,31-38H2,1-3H3,(H,70,76)(H,71,80)(H,91,92)/b30-28+/t40-,41+,42-,43+,44+,45+,46+,47+,49+,50+,51+,52-,53+,54-,55-,56+,57+,58+,59+,60+,61+,62-,63+,64-,65+,66-,67-,69+/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](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]3NC(=O)C)[C@H]2O)[C@H](O)[C@H]1O)([H])(NC(CCCCCCCCCCCCCCC)=O)[C@]([H])(O)/C=C/CCCCCCCCCCCCC