LIPID MAPS

Structure Database (LMSD)

View 3D

Download as... MDLMOL SDF CSV TSV PNG

Common Name

sialyl-lactotetraosylceramide(d18:1/20:0)

Systematic Name

NeuAcα2-3Galβ1-3GlcNAcβ1-3Galβ1-4Glcβ-Cer(d18:1/20:0)

Synonyms

LM ID

LMSP0601DK03

Formula

C₇₅H₁₃₅N₃O₃₁

Exact Mass

Calculate m/z

1573.907962

Sum Composition

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

Status

Active (generated by computational methods)

Show lipids differing only in stereochemistry/bond geometry

Classification

Reactions

Filter by species:

Click on an edge to display the reaction(s).

String Representations

InChiKey (Click to copy)

HJEGDOWMQBBSNP-KXKZLNTOSA-N

InChi (Click to copy)

InChI=1S/C75H135N3O31/c1-5-7-9-11-13-15-17-19-20-21-22-24-26-28-30-32-34-36-54(89)78-46(47(86)35-33-31-29-27-25-23-18-16-14-12-10-8-6-2)43-100-71-62(95)61(94)65(53(42-83)104-71)105-72-63(96)68(59(92)51(40-81)102-72)107-70-56(77-45(4)85)66(58(91)50(39-80)101-70)106-73-64(97)69(60(93)52(41-82)103-73)109-75(74(98)99)37-48(87)55(76-44(3)84)67(108-75)57(90)49(88)38-79/h33,35,46-53,55-73,79-83,86-88,90-97H,5-32,34,36-43H2,1-4H3,(H,76,84)(H,77,85)(H,78,89)(H,98,99)/b35-33+/t46-,47+,48-,49+,50+,51+,52+,53+,55+,56+,57+,58+,59-,60-,61+,62+,63+,64+,65+,66+,67+,68-,69-,70-,71+,72-,73-,75-/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@H](O)[C@H](O[C@]5(O[C@@]([H])([C@H](O)[C@H](O)CO)[C@H](NC(=O)C)[C@@H](O)C5)C(O)=O)[C@H]4O)[C@H]3NC(=O)C)[C@H]2O)[C@H](O)[C@H]1O)([H])(NC(CCCCCCCCCCCCCCCCCCC)=O)[C@]([H])(O)/C=C/CCCCCCCCCCCCC