Ganglioside gt3 (d18:1/14:0)

Structural Information

Molecular Formula

C₇₇H₁₃₄N₄O₃₇

SMILES

CCCCCCCCCCCCC/C=C/[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)CCCCCCCCCCCCC)O

InChI

InChI=1S/C77H134N4O37/c1-6-8-10-12-14-16-18-19-21-22-24-26-28-30-45(90)44(81-54(95)31-29-27-25-23-20-17-15-13-11-9-7-2)40-109-70-63(101)62(100)65(53(39-86)111-70)112-71-64(102)69(59(97)50(36-83)110-71)118-77(74(107)108)34-48(93)57(80-43(5)89)68(117-77)61(99)52(38-85)114-76(73(105)106)33-47(92)56(79-42(4)88)67(116-76)60(98)51(37-84)113-75(72(103)104)32-46(91)55(78-41(3)87)66(115-75)58(96)49(94)35-82/h28,30,44-53,55-71,82-86,90-94,96-102H,6-27,29,31-40H2,1-5H3,(H,78,87)(H,79,88)(H,80,89)(H,81,95)(H,103,104)(H,105,106)(H,107,108)/b30-28+/t44-,45+,46-,47-,48-,49+,50+,51+,52+,53+,55+,56+,57+,58+,59-,60+,61+,62+,63+,64+,65+,66?,67?,68?,69-,70+,71-,75+,76+,77-/m0/s1

InChIKey

GERUQPAWBZCUTA-VZAXZDPISA-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)-4,5-dihydroxy-2-(hydroxymethyl)-6-[(E,2S,3R)-3-hydroxy-2-(tetradecanoylamino)octadec-4-enoxy]oxan-3-yl]oxy-3,5-dihydroxy-6-(hydroxymethyl)oxan-4-yl]oxy-4-hydroxyoxane-2-carboxylic acid

Related CIDs

• CID 53481344