Ganglioside gq1c (d18:0/20:0)

Structural Information

Molecular Formula

C₁₀₉H₁₈₉N₅O₅₅

SMILES

CCCCCCCCCCCCCCCCCCCC(=O)N[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[C@H]3[C@@H]([C@H]([C@H]([C@H](O3)CO)O)O[C@H]4[C@@H]([C@H]([C@H]([C@H](O4)CO)O)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)CC(=O)C)O[C@@]6(C[C@@H]([C@H](C(O6)[C@@H]([C@@H](CO)O[C@@]7(C[C@@H]([C@H](C(O7)[C@@H]([C@@H](CO)O[C@@]8(C[C@@H]([C@H](C(O8)[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)[C@@H](CCCCCCCCCCCCCCC)O

InChI

InChI=1S/C109H189N5O55/c1-8-10-12-14-16-18-20-22-23-24-25-27-29-31-33-35-37-39-74(135)114-60(61(128)38-36-34-32-30-28-26-21-19-17-15-13-11-9-2)53-154-99-86(143)85(142)90(72(51-121)157-99)160-101-88(145)97(91(73(52-122)158-101)161-98-59(40-54(3)123)89(81(138)68(47-117)155-98)159-100-87(144)96(82(139)69(48-118)156-100)168-108(104(150)151)43-64(131)76(111-56(5)125)93(165-108)80(137)67(134)46-116)169-109(105(152)153)44-65(132)78(113-58(7)127)95(167-109)84(141)71(50-120)163-107(103(148)149)42-63(130)77(112-57(6)126)94(166-107)83(140)70(49-119)162-106(102(146)147)41-62(129)75(110-55(4)124)92(164-106)79(136)66(133)45-115/h59-73,75-101,115-122,128-134,136-145H,8-53H2,1-7H3,(H,110,124)(H,111,125)(H,112,126)(H,113,127)(H,114,135)(H,146,147)(H,148,149)(H,150,151)(H,152,153)/t59-,60+,61-,62+,63+,64+,65+,66-,67-,68-,69-,70-,71-,72-,73-,75-,76-,77-,78-,79-,80-,81+,82+,83-,84-,85-,86-,87-,88-,89-,90-,91+,92?,93?,94?,95?,96+,97-,98+,99-,100+,101+,106-,107-,108+,109+/m1/s1

InChIKey

VXMSRMPRWVALSI-VWFXNOPZSA-N

Compound name

(2S,4S,5R)-5-acetamido-2-[(2R,3R,4S,5S,6R)-2-[(2S,3R,4R,5R,6R)-2-[(2R,3S,4R,5R,6S)-4-[(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-carboxy-4-hydroxyoxan-2-yl]oxy-6-[(2R,3S,4R,5R,6R)-4,5-dihydroxy-6-[(2S,3R)-3-hydroxy-2-(icosanoylamino)octadecoxy]-2-(hydroxymethyl)oxan-3-yl]oxy-5-hydroxy-2-(hydroxymethyl)oxan-3-yl]oxy-5-hydroxy-6-(hydroxymethyl)-3-(2-oxopropyl)oxan-4-yl]oxy-3,5-dihydroxy-6-(hydroxymethyl)oxan-4-yl]oxy-4-hydroxy-6-[(1R,2R)-1,2,3-trihydroxypropyl]oxane-2-carboxylic acid

Related CIDs

• CID 53481214