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Ganglioside GP1c (d18:1(4E)/32:6(14Z,17Z,20Z,23Z,26Z,29Z))

PropertiesImage
MNX_IDMNXM524440 Image of MNXM524440
referenceslm:000486867
formulaC131H210N7O63
global charge-5
mol weight2891.107
InChIKeyYTJLHWQKLIWTKW-QITGGCNSSA-I
InChIInChI=1S/C131H215N7O63/c1-9-11-13-15-17-19-21-23-24-25-26-27-28-29-30-31-32-33-34-35-36-37-38-40-42-44-46-48-50-52-90(162)138-74(75(154)51-49-47-45-43-41-39-22-20-18-16-14-12-10-2)67-184-119-105(171)104(170)108(88(65-146)187-119)189-121-107(173)117(201-131(126(182)183)57-80(159)95(136-72(7)152)115(199-131)103(169)87(64-145)194-129(124(178)179)55-78(157)93(134-70(5)150)113(197-129)101(167)85(62-143)192-127(122(174)175)53-76(155)91(132-68(3)148)111(195-127)97(163)81(160)58-139)109(89(66-147)188-121)190-118-96(137-73(8)153)110(99(165)83(60-141)185-118)191-120-106(172)116(100(166)84(61-142)186-120)200-130(125(180)181)56-79(158)94(135-71(6)151)114(198-130)102(168)86(63-144)193-128(123(176)177)54-77(156)92(133-69(4)149)112(196-128)98(164)82(161)59-140/h11,13,17,19,23-24,26-27,29-30,32-33,49,51,74-89,91-121,139-147,154-161,163-173H,9-10,12,14-16,18,20-22,25,28,31,34-48,50,52-67H2,1-8H3,(H,132,148)(H,133,149)(H,134,150)(H,135,151)(H,136,152)(H,137,153)(H,138,162)(H,174,175)(H,176,177)(H,178,179)(H,180,181)(H,182,183)/p-5/b13-11-,19-17-,24-23-,27-26-,30-29-,33-32-,51-49+/t74-,75+,76-,77-,78-,79-,80-,81+,82+,83+,84+,85+,86+,87+,88+,89+,91+,92+,93+,94+,95+,96+,97+,98+,99-,100-,101+,102+,103+,104+,105+,106+,107+,108+,109-,110+,111+,112+,113+,114+,115+,116-,117+,118-,119+,120-,121-,127+,128+,129+,130-,131-/m0/s1
SMILESCC/C=C\C/C=C\C/C=C\C/C=C\C/C=C\C/C=C\CCCCCCCCCCCCC(=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@H]([C@H](O)[C@@H](CO)O[C@]6(C(=O)[O-])C[C@H](O)[C@@H](NC(C)=O)[C@H]([C@H](O)[C@H](O)CO)O6)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)[C@H](O)/C=C/CCCCCCCCCCCCC
MNX internals
InChI (mnx)InChI=1/C131H215N7O63/c1-9-11-13-15-17-19-21-23-24-25-26-27-28-29-30-31-32-33-34-35-36-37-38-40-42-44-46-48-50-52-90(162)138-74(75(154)51-49-47-45-43-41-39-22-20-18-16-14-12-10-2)67-184-119-105(171)104(170)108(88(65-146)187-119)189-121-107(173)117(201-131(126(182)183)57-80(159)95(136-72(7)152)115(199-131)103(169)87(64-145)194-129(124(178)179)55-78(157)93(134-70(5)150)113(197-129)101(167)85(62-143)192-127(122(174)175)53-76(155)91(132-68(3)148)111(195-127)97(163)81(160)58-139)109(89(66-147)188-121)190-118-96(137-73(8)153)110(99(165)83(60-141)185-118)191-120-106(172)116(100(166)84(61-142)186-120)200-130(125(180)181)56-79(158)94(135-71(6)151)114(198-130)102(168)86(63-144)193-128(123(176)177)54-77(156)92(133-69(4)149)112(196-128)98(164)82(161)59-140/h11,13,17,19,23-24,26-27,29-30,32-33,49,51,74-89,91-121,139-147,154-161,163-173H,9-10,12,14-16,18,20-22,25,28,31,34-48,50,52-67H2,1-8H3,(H,132,148)(H,133,149)(H,134,150)(H,135,151)(H,136,152)(H,137,153)(H,138,162)(H,174,175)(H,176,177)(H,178,179)(H,180,181)(H,182,183)/b13-11-,19-17-,24-23-,27-26-,30-29-,33-32-,51-49+/t74-,75+,76-,77-,78-,79-,80-,81+,82+,83+,84+,85+,86+,87+,88+,89+,91+,92+,93+,94+,95+,96+,97+,98+,99-,100-,101+,102+,103+,104+,105+,106+,107+,108+,109-,110+,111+,112+,113+,114+,115+,116-,117+,118-,119+,120-,121-,127+,128+,129+,130-,131-/m0/s1 Image of MNXM524440
SMILES (mnx)[CH3:1][CH2:9]/[CH:11]=[CH:13]\[CH2:15]/[CH:17]=[CH:19]\[CH2:21]/[CH:23]=[CH:24]\[CH2:25]/[CH:26]=[CH:27]\[CH2:28]/[CH:29]=[CH:30]\[CH2:31]/[CH:32]=[CH:33]\[CH2:34][CH2:35][CH2:36][CH2:37][CH2:38][CH2:40][CH2:42][CH2:44][CH2:46][CH2:48][CH2:50][CH2:52][C:90](=[N:138][C@@H:74]([CH2:67][O:184][C@H:119]1[C@H:105]([OH:171])[C@@H:104]([OH:170])[C@H:108]([O:189][C@H:121]2[C@H:107]([OH:173])[C@@H:117]([O:201][C@:131]3([C:126](=[O:182])[OH:183])[CH2:57][C@H:80]([OH:159])[C@@H:95]([N:136]=[C:72]([CH3:7])[OH:152])[C@H:115]([C@@H:103]([C@@H:87]([CH2:64][OH:145])[O:194][C@:129]4([C:124](=[O:178])[OH:179])[CH2:55][C@H:78]([OH:157])[C@@H:93]([N:134]=[C:70]([CH3:5])[OH:150])[C@H:113]([C@@H:101]([C@@H:85]([CH2:62][OH:143])[O:192][C@:127]5([C:122](=[O:174])[OH:175])[CH2:53][C@H:76]([OH:155])[C@@H:91]([N:132]=[C:68]([CH3:3])[OH:148])[C@H:111]([C@@H:97]([C@@H:81]([CH2:58][OH:139])[OH:160])[OH:163])[O:195]5)[OH:167])[O:197]4)[OH:169])[O:199]3)[C@@H:109]([O:190][C@H:118]3[C@H:96]([N:137]=[C:73]([CH3:8])[OH:153])[C@@H:110]([O:191][C@H:120]4[C@H:106]([OH:172])[C@@H:116]([O:200][C@:130]5([C:125](=[O:180])[OH:181])[CH2:56][C@H:79]([OH:158])[C@@H:94]([N:135]=[C:71]([CH3:6])[OH:151])[C@H:114]([C@@H:102]([C@@H:86]([CH2:63][OH:144])[O:193][C@:128]6([C:123](=[O:176])[OH:177])[CH2:54][C@H:77]([OH:156])[C@@H:92]([N:133]=[C:69]([CH3:4])[OH:149])[C@H:112]([C@@H:98]([C@@H:82]([CH2:59][OH:140])[OH:161])[OH:164])[O:196]6)[OH:168])[O:198]5)[C@@H:100]([OH:166])[C@@H:84]([CH2:61][OH:142])[O:186]4)[C@@H:99]([OH:165])[C@@H:83]([CH2:60][OH:141])[O:185]3)[C@@H:89]([CH2:66][OH:147])[O:188]2)[C@@H:88]([CH2:65][OH:146])[O:187]1)[C@@H:75](/[CH:51]=[CH:49]/[CH2:47][CH2:45][CH2:43][CH2:41][CH2:39][CH2:22][CH2:20][CH2:18][CH2:16][CH2:14][CH2:12][CH2:10][CH3:2])[OH:154])[OH:162]
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:000486867
slm:000486867
YTJLHWQKLIWTKW-QITGGCNSSA-I 		Ganglioside GP1c (d18:1(4E)/32:6(14Z,17Z,20Z,23Z,26Z,29Z))
GP1c(d18:1(4E)/32:6(14Z,17Z,20Z,23Z,26Z,29Z))
alpha-N-acetylneuraminosyl-(2->8)-alpha-N-acetylneuraminosyl-(2->3)-beta-D-galactosyl-(1->3)-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-(14Z,17Z,20Z,23Z,26Z,29Z-dotriacontahexaenoyl)-sphing-4-enine