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Ganglioside GD1a (d18:1/24:1(15Z))

PropertiesImageOccurences in reactions
MNX_IDMNXM54414Image of MNXM54414
#reac
in my sandbox 0
in MNXref (generic)0
in models (compartimentalized) 0
formulaC91H159N3O39
charge0
mass1918.05507
referencehmdb:HMDB0011803
InChIKeyQMEHCUHNJMRKDY-GSEWZLEOSA-N
InChIInChI=1S/C91H159N3O39/c1-6-8-10-12-14-16-18-20-21-22-23-24-25-26-27-29-31-33-35-37-39-41-66(109)94-56(57(104)40-38-36-34-32-30-28-19-17-15-13-11-9-7-2)51-122-85-74(115)73(114)78(64(49-99)125-85)128-87-76(117)83(133-91(89(120)121)44-59(106)68(93-54(5)103)81(131-91)70(111)61(108)46-96)79(65(50-100)126-87)129-84-55(42-52(3)101)77(71(112)62(47-97)123-84)127-86-75(116)82(72(113)63(48-98)124-86)132-90(88(118)119)43-58(105)67(92-53(4)102)80(130-90)69(110)60(107)45-95/h20-21,38,40,55-65,67-87,95-100,104-108,110-117H,6-19,22-37,39,41-51H2,1-5H3,(H,92,102)(H,93,103)(H,94,109)(H,118,119)(H,120,121)/b21-20-,40-38+/t55-,56+,57-,58+,59+,60-,61-,62-,63-,64-,65-,67-,68-,69-,70-,71+,72+,73-,74-,75-,76-,77-,78-,79+,80?,81?,82+,83-,84+,85-,86+,87+,90+,91+/m1/s1
SMILESCCCCCCCC/C=C\CCCCCCCCCCCCCC(=O)N[C@@H](CO[C@@H]1O[C@H](CO)[C@@H](O[C@@H]2O[C@H](CO)[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(C(=O)O)C[C@H](O)[C@@H](NC(C)=O)C([C@H](O)[C@H](O)CO)O5)[C@H]4O)[C@H]3CC(C)=O)[C@H](O[C@]3(C(=O)O)C[C@H](O)[C@@H](NC(C)=O)C([C@H](O)[C@H](O)CO)O3)[C@H]2O)[C@H](O)[C@H]1O)[C@H](O)/C=C/CCCCCCCCCCCCC
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Similar chemical compounds in external resources
IdentifierDescription
hmdb:HMDB0011803 Ganglioside GD1a (d18:1/24:1(15Z))
(2S,4S,5R)-2-{[(2R,3R,4S,5S,6R)-2-{[(2S,3R,4R,5R,6R)-2-{[(2R,3S,4R,5R,6S)-4-{[(2S,4S,5R)-2-carboxy-4-hydroxy-5-[(1-hydroxyethylidene)amino]-6-[(1R,2R)-1,2,3-trihydroxypropyl]oxan-2-yl]oxy}-6-{[(2R,3S,4R,5R,6R)-4,5-dihydroxy-6-{[(2S,3R,4E)-3-hydroxy-2-{[(15Z)-1-hydroxytetracos-15-en-1-ylidene]amino}octadec-4-en-1-yl]oxy}-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-5-[(1-hydroxyethylidene)amino]-6-[(1R,2R)-1,2,3-trihydroxypropyl]oxane-2-carboxylate
(2S,4S,5R)-2-{[(2R,3R,4S,5S,6R)-2-{[(2S,3R,4R,5R,6R)-2-{[(2R,3S,4R,5R,6S)-4-{[(2S,4S,5R)-2-carboxy-5-acetamido-4-hydroxy-6-[(1R,2R)-1,2,3-trihydroxypropyl]oxan-2-yl]oxy}-6-{[(2R,3S,4R,5R,6R)-4,5-dihydroxy-6-{[(2S,3R,4E)-3-hydroxy-2-[(15Z)-tetracos-15-enamido]octadec-4-en-1-yl]oxy}-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}-5-acetamido-4-hydroxy-6-[(1R,2R)-1,2,3-trihydroxypropyl]oxane-2-carboxylic acid
hmdb:HMDB11803 secondary/obsolete/fantasy identifier