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Ganglioside GP1c alpha (d18:1(4E)/iso17:0)

PropertiesImage
MNX_IDMNXM524543 Image of MNXM524543
referenceslm:000486140
formulaC116H192N7O63
global charge-5
mol weight2692.798
InChIKeyUPKUAIKWUAAEGS-JIQIHTGPSA-I
InChIInChI=1S/C116H197N7O63/c1-10-11-12-13-14-15-16-17-20-23-26-29-32-35-60(138)59(123-75(147)36-33-30-27-24-21-18-19-22-25-28-31-34-52(2)3)50-169-104-90(156)89(155)93(72(48-130)172-104)175-106-92(158)102(186-116(111(167)168)41-65(143)80(121-57(8)136)100(184-116)87(153)71(47-129)179-114(109(163)164)39-63(141)79(120-56(7)135)99(183-114)86(152)70(46-128)178-113(108(161)162)38-62(140)77(118-54(5)133)97(181-113)83(149)67(145)43-125)94(73(49-131)173-106)176-103-81(122-58(9)137)95(88(154)74(174-103)51-170-112(107(159)160)37-61(139)76(117-53(4)132)96(180-112)82(148)66(144)42-124)177-105-91(157)101(85(151)69(45-127)171-105)185-115(110(165)166)40-64(142)78(119-55(6)134)98(182-115)84(150)68(146)44-126/h32,35,52,59-74,76-106,124-131,138-146,148-158H,10-31,33-34,36-51H2,1-9H3,(H,117,132)(H,118,133)(H,119,134)(H,120,135)(H,121,136)(H,122,137)(H,123,147)(H,159,160)(H,161,162)(H,163,164)(H,165,166)(H,167,168)/p-5/b35-32+/t59-,60+,61-,62-,63-,64-,65-,66+,67+,68+,69+,70+,71+,72+,73+,74+,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-,102+,103-,104+,105-,106-,112+,113+,114+,115-,116-/m0/s1
SMILESCCCCCCCCCCCCC/C=C/[C@@H](O)[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@]4(C(=O)[O-])C[C@H](O)[C@@H](NC(C)=O)[C@H]([C@H](O)[C@H](O)CO)O4)[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@H]([C@H](O)[C@H](O)CO)O5)[C@H]4O)[C@H]3NC(C)=O)[C@H](O[C@]3(C(=O)[O-])C[C@H](O)[C@@H](NC(C)=O)[C@H]([C@H](O)[C@@H](CO)O[C@]4(C(=O)[O-])C[C@H](O)[C@@H](NC(C)=O)[C@H]([C@H](O)[C@@H](CO)O[C@]5(C(=O)[O-])C[C@H](O)[C@@H](NC(C)=O)[C@H]([C@H](O)[C@H](O)CO)O5)O4)O3)[C@H]2O)[C@H](O)[C@H]1O)NC(=O)CCCCCCCCCCCCCC(C)C
MNX internals
InChI (mnx)InChI=1/C116H197N7O63/c1-10-11-12-13-14-15-16-17-20-23-26-29-32-35-60(138)59(123-75(147)36-33-30-27-24-21-18-19-22-25-28-31-34-52(2)3)50-169-104-90(156)89(155)93(72(48-130)172-104)175-106-92(158)102(186-116(111(167)168)41-65(143)80(121-57(8)136)100(184-116)87(153)71(47-129)179-114(109(163)164)39-63(141)79(120-56(7)135)99(183-114)86(152)70(46-128)178-113(108(161)162)38-62(140)77(118-54(5)133)97(181-113)83(149)67(145)43-125)94(73(49-131)173-106)176-103-81(122-58(9)137)95(88(154)74(174-103)51-170-112(107(159)160)37-61(139)76(117-53(4)132)96(180-112)82(148)66(144)42-124)177-105-91(157)101(85(151)69(45-127)171-105)185-115(110(165)166)40-64(142)78(119-55(6)134)98(182-115)84(150)68(146)44-126/h32,35,52,59-74,76-106,124-131,138-146,148-158H,10-31,33-34,36-51H2,1-9H3,(H,117,132)(H,118,133)(H,119,134)(H,120,135)(H,121,136)(H,122,137)(H,123,147)(H,159,160)(H,161,162)(H,163,164)(H,165,166)(H,167,168)/b35-32+/t59-,60+,61-,62-,63-,64-,65-,66+,67+,68+,69+,70+,71+,72+,73+,74+,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-,102+,103-,104+,105-,106-,112+,113+,114+,115-,116-/m0/s1 Image of MNXM524543
SMILES (mnx)[CH3:1][CH2:10][CH2:11][CH2:12][CH2:13][CH2:14][CH2:15][CH2:16][CH2:17][CH2:20][CH2:23][CH2:26][CH2:29]/[CH:32]=[CH:35]/[C@H:60]([C@H:59]([CH2:50][O:169][C@H:104]1[C@H:90]([OH:156])[C@@H:89]([OH:155])[C@H:93]([O:175][C@H:106]2[C@H:92]([OH:158])[C@@H:102]([O:186][C@:116]3([C:111](=[O:167])[OH:168])[CH2:41][C@H:65]([OH:143])[C@@H:80]([N:121]=[C:57]([CH3:8])[OH:136])[C@H:100]([C@@H:87]([C@@H:71]([CH2:47][OH:129])[O:179][C@:114]4([C:109](=[O:163])[OH:164])[CH2:39][C@H:63]([OH:141])[C@@H:79]([N:120]=[C:56]([CH3:7])[OH:135])[C@H:99]([C@@H:86]([C@@H:70]([CH2:46][OH:128])[O:178][C@:113]5([C:108](=[O:161])[OH:162])[CH2:38][C@H:62]([OH:140])[C@@H:77]([N:118]=[C:54]([CH3:5])[OH:133])[C@H:97]([C@@H:83]([C@@H:67]([CH2:43][OH:125])[OH:145])[OH:149])[O:181]5)[OH:152])[O:183]4)[OH:153])[O:184]3)[C@@H:94]([O:176][C@H:103]3[C@H:81]([N:122]=[C:58]([CH3:9])[OH:137])[C@@H:95]([O:177][C@H:105]4[C@H:91]([OH:157])[C@@H:101]([O:185][C@:115]5([C:110](=[O:165])[OH:166])[CH2:40][C@H:64]([OH:142])[C@@H:78]([N:119]=[C:55]([CH3:6])[OH:134])[C@H:98]([C@@H:84]([C@@H:68]([CH2:44][OH:126])[OH:146])[OH:150])[O:182]5)[C@@H:85]([OH:151])[C@@H:69]([CH2:45][OH:127])[O:171]4)[C@@H:88]([OH:154])[C@@H:74]([CH2:51][O:170][C@:112]4([C:107](=[O:159])[OH:160])[CH2:37][C@H:61]([OH:139])[C@@H:76]([N:117]=[C:53]([CH3:4])[OH:132])[C@H:96]([C@@H:82]([C@@H:66]([CH2:42][OH:124])[OH:144])[OH:148])[O:180]4)[O:174]3)[C@@H:73]([CH2:49][OH:131])[O:173]2)[C@@H:72]([CH2:48][OH:130])[O:172]1)[N:123]=[C:75]([CH2:36][CH2:33][CH2:30][CH2:27][CH2:24][CH2:21][CH2:18][CH2:19][CH2:22][CH2:25][CH2:28][CH2:31][CH2:34][CH:52]([CH3:2])[CH3:3])[OH:147])[OH:138]
Parent-child relations graph
Occurences in reactions#reac
in my sandbox 0
in MNXref (generic)0
in models (compartimentalized) 0
Similar chemical compounds in external resources
IdentifierDescription

SLM:000486140
slm:000486140
UPKUAIKWUAAEGS-JIQIHTGPSA-I 		Ganglioside GP1c alpha (d18:1(4E)/iso17:0)
GP1c alpha(d18:1(4E)/iso17:0)
alpha-N-acetylneuraminosyl-(2->3)-beta-D-galactosyl-(1->3)-[alpha-N-acetylneuraminosyl-(2->6)]-N-acetyl-beta-D-galactosaminyl-(1->4)-[alpha-N-acetylneuraminosyl-(2->8)-alpha-N-acetylneuraminosyl-(2->8)-alpha-N-acetylneuraminosyl-(2->3)]-beta-D-galactosyl-(1->4)-beta-D-glucosyl-(1<->1')-N-(15-methylhexadecanoyl)-sphing-4-enine