Ganglioside gt3 (d18:0/12:0)

Structural Information

Molecular Formula

C₇₅H₁₃₂N₄O₃₇

SMILES

CCCCCCCCCCCCCCC[C@H]([C@H](CO[C@H]1[C@@H]([C@H]([C@@H]([C@H](O1)CO)O[C@H]2[C@@H]([C@H]([C@H]([C@H](O2)CO)O)O[C@@]3(C[C@@H]([C@H](C(O3)[C@@H]([C@@H](CO)O[C@@]4(C[C@@H]([C@H](C(O4)[C@@H]([C@@H](CO)O[C@@]5(C[C@@H]([C@H](C(O5)[C@@H]([C@@H](CO)O)O)NC(=O)C)O)C(=O)O)O)NC(=O)C)O)C(=O)O)O)NC(=O)C)O)C(=O)O)O)O)O)NC(=O)CCCCCCCCCCC)O

InChI

InChI=1S/C75H132N4O37/c1-6-8-10-12-14-16-17-18-19-21-22-24-26-28-43(88)42(79-52(93)29-27-25-23-20-15-13-11-9-7-2)38-107-68-61(99)60(98)63(51(37-84)109-68)110-69-62(100)67(57(95)48(34-81)108-69)116-75(72(105)106)32-46(91)55(78-41(5)87)66(115-75)59(97)50(36-83)112-74(71(103)104)31-45(90)54(77-40(4)86)65(114-74)58(96)49(35-82)111-73(70(101)102)30-44(89)53(76-39(3)85)64(113-73)56(94)47(92)33-80/h42-51,53-69,80-84,88-92,94-100H,6-38H2,1-5H3,(H,76,85)(H,77,86)(H,78,87)(H,79,93)(H,101,102)(H,103,104)(H,105,106)/t42-,43+,44-,45-,46-,47+,48+,49+,50+,51+,53+,54+,55+,56+,57-,58+,59+,60+,61+,62+,63+,64?,65?,66?,67-,68+,69-,73+,74+,75-/m0/s1

InChIKey

ORLGLWLISKUEHS-JMNXZLRVSA-N

Compound name

(2S,4S,5R)-5-acetamido-6-[(1S,2R)-2-[(2S,4S,5R)-5-acetamido-6-[(1S,2R)-2-[(2S,4S,5R)-5-acetamido-2-carboxy-4-hydroxy-6-[(1R,2R)-1,2,3-trihydroxypropyl]oxan-2-yl]oxy-1,3-dihydroxypropyl]-2-carboxy-4-hydroxyoxan-2-yl]oxy-1,3-dihydroxypropyl]-2-[(2S,3R,4S,5S,6R)-2-[(2R,3S,4R,5R,6R)-6-[(2S,3R)-2-(dodecanoylamino)-3-hydroxyoctadecoxy]-4,5-dihydroxy-2-(hydroxymethyl)oxan-3-yl]oxy-3,5-dihydroxy-6-(hydroxymethyl)oxan-4-yl]oxy-4-hydroxyoxane-2-carboxylic acid

Related CIDs

• CID 53481328