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Ganglioside GT1b (d18:0/23:0)

PropertiesImageOccurences in reactions
MNX_IDMNXM54639Image of MNXM54639
#reac
in my sandbox 0
in MNXref (generic)0
in models (compartimentalized) 0
formulaC101H178N4O47
charge0
mass2199.16614
referencehmdb:HMDB0011971
InChIKeyZYVWBKWDMQJPLL-GEPFCUMRSA-N
InChIInChI=1S/C101H178N4O47/c1-7-9-11-13-15-17-19-21-22-23-24-25-26-27-29-31-33-35-37-39-41-71(123)105-59(60(117)40-38-36-34-32-30-28-20-18-16-14-12-10-8-2)53-139-93-81(130)80(129)85(69(51-111)142-93)145-95-83(132)91(152-101(98(137)138)45-63(120)74(104-57(6)116)89(150-101)79(128)68(50-110)147-99(96(133)134)43-61(118)72(102-55(4)114)87(148-99)75(124)64(121)46-106)86(70(52-112)143-95)146-92-58(42-54(3)113)84(77(126)66(48-108)140-92)144-94-82(131)90(78(127)67(49-109)141-94)151-100(97(135)136)44-62(119)73(103-56(5)115)88(149-100)76(125)65(122)47-107/h58-70,72-95,106-112,117-122,124-132H,7-53H2,1-6H3,(H,102,114)(H,103,115)(H,104,116)(H,105,123)(H,133,134)(H,135,136)(H,137,138)/t58-,59+,60-,61+,62+,63+,64-,65-,66-,67-,68-,69-,70-,72-,73-,74-,75-,76-,77+,78+,79-,80-,81-,82-,83-,84-,85-,86+,87?,88?,89?,90+,91-,92+,93-,94+,95+,99-,100+,101+/m1/s1
SMILESCCCCCCCCCCCCCCCCCCCCCCC(=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](CO)O[C@]4(C(=O)O)C[C@H](O)[C@@H](NC(C)=O)C([C@H](O)[C@H](O)CO)O4)O3)[C@H]2O)[C@H](O)[C@H]1O)[C@H](O)CCCCCCCCCCCCCCC
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 Deprecated MNXref IDs graph
Similar chemical compounds in external resources
IdentifierDescription
hmdb:HMDB0011971 Ganglioside GT1b (d18:0/23:0)
(2S,4S,5R)-2-{[(1S,2R)-1-[(3R,4S,6S)-6-carboxy-6-{[(2R,3S,4R,5R,6S)-3-{[(2S,3R,4R,5R,6R)-4-{[(2R,3R,4S,5S,6R)-4-{[(2S,4S,5R)-2-carboxy-4-hydroxy-5-[(1-hydroxyethylidene)amino]-6-[(1R,2R)-1,2,3-trihydroxypropyl]oxan-2-yl]oxy}-3,5-dihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}-5-hydroxy-6-(hydroxymethyl)-3-(2-oxopropyl)oxan-2-yl]oxy}-6-{[(2R,3S,4R,5R,6R)-4,5-dihydroxy-6-{[(2S,3R)-3-hydroxy-2-[(1-hydroxytricosylidene)amino]octadecyl]oxy}-2-(hydroxymethyl)oxan-3-yl]oxy}-5-hydroxy-2-(hydroxymethyl)oxan-4-yl]oxy}-4-hydroxy-3-[(1-hydroxyethylidene)amino]oxan-2-yl]-1,3-dihydroxypropan-2-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-6-[(1S,2R)-2-{[(2S,4S,5R)-2-carboxy-5-acetamido-4-hydroxy-6-[(1R,2R)-1,2,3-trihydroxypropyl]oxan-2-yl]oxy}-1,3-dihydroxypropyl]-5-acetamido-4-hydroxyoxan-2-yl]oxy}-6-{[(2R,3S,4R,5R,6R)-4,5-dihydroxy-6-{[(2S,3R)-3-hydroxy-2-tricosanamidooctadecyl]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:HMDB11971 secondary/obsolete/fantasy identifier