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Ganglioside GP1c alpha (d18:1(4E)/16:0)

PropertiesImage
MNX_IDMNXM524465 Image of MNXM524465
referenceslm:000489956
formulaC115H190N7O63
global charge-5
mol weight2678.771
InChIKeyUMMPVGCZLQCKOK-ODAGYGRKSA-I
InChIInChI=1S/C115H195N7O63/c1-9-11-13-15-17-19-21-23-25-27-29-31-33-35-59(137)58(122-74(146)36-34-32-30-28-26-24-22-20-18-16-14-12-10-2)50-168-103-89(155)88(154)92(71(48-129)171-103)174-105-91(157)101(185-115(110(166)167)41-64(142)79(120-56(7)135)99(183-115)86(152)70(47-128)178-113(108(162)163)39-62(140)78(119-55(6)134)98(182-113)85(151)69(46-127)177-112(107(160)161)38-61(139)76(117-53(4)132)96(180-112)82(148)66(144)43-124)93(72(49-130)172-105)175-102-80(121-57(8)136)94(87(153)73(173-102)51-169-111(106(158)159)37-60(138)75(116-52(3)131)95(179-111)81(147)65(143)42-123)176-104-90(156)100(84(150)68(45-126)170-104)184-114(109(164)165)40-63(141)77(118-54(5)133)97(181-114)83(149)67(145)44-125/h33,35,58-73,75-105,123-130,137-145,147-157H,9-32,34,36-51H2,1-8H3,(H,116,131)(H,117,132)(H,118,133)(H,119,134)(H,120,135)(H,121,136)(H,122,146)(H,158,159)(H,160,161)(H,162,163)(H,164,165)(H,166,167)/p-5/b35-33+/t58-,59+,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+,102-,103+,104-,105-,111+,112+,113+,114-,115-/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)CCCCCCCCCCCCCCC
MNX internals
InChI (mnx)InChI=1/C115H195N7O63/c1-9-11-13-15-17-19-21-23-25-27-29-31-33-35-59(137)58(122-74(146)36-34-32-30-28-26-24-22-20-18-16-14-12-10-2)50-168-103-89(155)88(154)92(71(48-129)171-103)174-105-91(157)101(185-115(110(166)167)41-64(142)79(120-56(7)135)99(183-115)86(152)70(47-128)178-113(108(162)163)39-62(140)78(119-55(6)134)98(182-113)85(151)69(46-127)177-112(107(160)161)38-61(139)76(117-53(4)132)96(180-112)82(148)66(144)43-124)93(72(49-130)172-105)175-102-80(121-57(8)136)94(87(153)73(173-102)51-169-111(106(158)159)37-60(138)75(116-52(3)131)95(179-111)81(147)65(143)42-123)176-104-90(156)100(84(150)68(45-126)170-104)184-114(109(164)165)40-63(141)77(118-54(5)133)97(181-114)83(149)67(145)44-125/h33,35,58-73,75-105,123-130,137-145,147-157H,9-32,34,36-51H2,1-8H3,(H,116,131)(H,117,132)(H,118,133)(H,119,134)(H,120,135)(H,121,136)(H,122,146)(H,158,159)(H,160,161)(H,162,163)(H,164,165)(H,166,167)/b35-33+/t58-,59+,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+,102-,103+,104-,105-,111+,112+,113+,114-,115-/m0/s1 Image of MNXM524465
SMILES (mnx)[CH3:1][CH2:9][CH2:11][CH2:13][CH2:15][CH2:17][CH2:19][CH2:21][CH2:23][CH2:25][CH2:27][CH2:29][CH2:31]/[CH:33]=[CH:35]/[C@H:59]([C@H:58]([CH2:50][O:168][C@H:103]1[C@H:89]([OH:155])[C@@H:88]([OH:154])[C@H:92]([O:174][C@H:105]2[C@H:91]([OH:157])[C@@H:101]([O:185][C@:115]3([C:110](=[O:166])[OH:167])[CH2:41][C@H:64]([OH:142])[C@@H:79]([N:120]=[C:56]([CH3:7])[OH:135])[C@H:99]([C@@H:86]([C@@H:70]([CH2:47][OH:128])[O:178][C@:113]4([C:108](=[O:162])[OH:163])[CH2:39][C@H:62]([OH:140])[C@@H:78]([N:119]=[C:55]([CH3:6])[OH:134])[C@H:98]([C@@H:85]([C@@H:69]([CH2:46][OH:127])[O:177][C@:112]5([C:107](=[O:160])[OH:161])[CH2:38][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]([CH2:43][OH:124])[OH:144])[OH:148])[O:180]5)[OH:151])[O:182]4)[OH:152])[O:183]3)[C@@H:93]([O:175][C@H:102]3[C@H:80]([N:121]=[C:57]([CH3:8])[OH:136])[C@@H:94]([O:176][C@H:104]4[C@H:90]([OH:156])[C@@H:100]([O:184][C@:114]5([C:109](=[O:164])[OH:165])[CH2:40][C@H:63]([OH:141])[C@@H:77]([N:118]=[C:54]([CH3:5])[OH:133])[C@H:97]([C@@H:83]([C@@H:67]([CH2:44][OH:125])[OH:145])[OH:149])[O:181]5)[C@@H:84]([OH:150])[C@@H:68]([CH2:45][OH:126])[O:170]4)[C@@H:87]([OH:153])[C@@H:73]([CH2:51][O:169][C@:111]4([C:106](=[O:158])[OH:159])[CH2:37][C@H:60]([OH:138])[C@@H:75]([N:116]=[C:52]([CH3:3])[OH:131])[C@H:95]([C@@H:81]([C@@H:65]([CH2:42][OH:123])[OH:143])[OH:147])[O:179]4)[O:173]3)[C@@H:72]([CH2:49][OH:130])[O:172]2)[C@@H:71]([CH2:48][OH:129])[O:171]1)[N:122]=[C:74]([CH2:36][CH2:34][CH2:32][CH2:30][CH2:28][CH2:26][CH2:24][CH2:22][CH2:20][CH2:18][CH2:16][CH2:14][CH2:12][CH2:10][CH3:2])[OH:146])[OH:137]
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:000489956
slm:000489956
UMMPVGCZLQCKOK-ODAGYGRKSA-I 		Ganglioside GP1c alpha (d18:1(4E)/16:0)
GP1c alpha(d18:1(4E)/16:0)
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-(hexadecanoyl)-sphing-4-enine