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Ganglioside GP1c alpha (d18:1(4E)/22:6(4Z,7Z,10Z,13Z,16Z,19Z))

PropertiesImage
MNX_IDMNXM524497 Image of MNXM524497
referenceslm:000486097
formulaC121H190N7O63
global charge-5
mol weight2750.837
InChIKeyRHOIEYHKPGPLKL-RIXCAFEMSA-I
InChIInChI=1S/C121H195N7O63/c1-9-11-13-15-17-19-21-23-24-25-26-27-28-30-32-34-36-38-40-42-80(152)128-64(65(143)41-39-37-35-33-31-29-22-20-18-16-14-12-10-2)56-174-109-95(161)94(160)98(77(54-135)177-109)180-111-97(163)107(191-121(116(172)173)47-70(148)85(126-62(7)141)105(189-121)92(158)76(53-134)184-119(114(168)169)45-68(146)84(125-61(6)140)104(188-119)91(157)75(52-133)183-118(113(166)167)44-67(145)82(123-59(4)138)102(186-118)88(154)72(150)49-130)99(78(55-136)178-111)181-108-86(127-63(8)142)100(93(159)79(179-108)57-175-117(112(164)165)43-66(144)81(122-58(3)137)101(185-117)87(153)71(149)48-129)182-110-96(162)106(90(156)74(51-132)176-110)190-120(115(170)171)46-69(147)83(124-60(5)139)103(187-120)89(155)73(151)50-131/h11,13,17,19,23-24,26-27,30,32,36,38-39,41,64-79,81-111,129-136,143-151,153-163H,9-10,12,14-16,18,20-22,25,28-29,31,33-35,37,40,42-57H2,1-8H3,(H,122,137)(H,123,138)(H,124,139)(H,125,140)(H,126,141)(H,127,142)(H,128,152)(H,164,165)(H,166,167)(H,168,169)(H,170,171)(H,172,173)/p-5/b13-11-,19-17-,24-23-,27-26-,32-30-,38-36-,41-39+/t64-,65+,66-,67-,68-,69-,70-,71+,72+,73+,74+,75+,76+,77+,78+,79+,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-,107+,108-,109+,110-,111-,117+,118+,119+,120-,121-/m0/s1
SMILESCC/C=C\C/C=C\C/C=C\C/C=C\C/C=C\C/C=C\CCC(=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@]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)[C@H](O)/C=C/CCCCCCCCCCCCC
MNX internals
InChI (mnx)InChI=1/C121H195N7O63/c1-9-11-13-15-17-19-21-23-24-25-26-27-28-30-32-34-36-38-40-42-80(152)128-64(65(143)41-39-37-35-33-31-29-22-20-18-16-14-12-10-2)56-174-109-95(161)94(160)98(77(54-135)177-109)180-111-97(163)107(191-121(116(172)173)47-70(148)85(126-62(7)141)105(189-121)92(158)76(53-134)184-119(114(168)169)45-68(146)84(125-61(6)140)104(188-119)91(157)75(52-133)183-118(113(166)167)44-67(145)82(123-59(4)138)102(186-118)88(154)72(150)49-130)99(78(55-136)178-111)181-108-86(127-63(8)142)100(93(159)79(179-108)57-175-117(112(164)165)43-66(144)81(122-58(3)137)101(185-117)87(153)71(149)48-129)182-110-96(162)106(90(156)74(51-132)176-110)190-120(115(170)171)46-69(147)83(124-60(5)139)103(187-120)89(155)73(151)50-131/h11,13,17,19,23-24,26-27,30,32,36,38-39,41,64-79,81-111,129-136,143-151,153-163H,9-10,12,14-16,18,20-22,25,28-29,31,33-35,37,40,42-57H2,1-8H3,(H,122,137)(H,123,138)(H,124,139)(H,125,140)(H,126,141)(H,127,142)(H,128,152)(H,164,165)(H,166,167)(H,168,169)(H,170,171)(H,172,173)/b13-11-,19-17-,24-23-,27-26-,32-30-,38-36-,41-39+/t64-,65+,66-,67-,68-,69-,70-,71+,72+,73+,74+,75+,76+,77+,78+,79+,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-,107+,108-,109+,110-,111-,117+,118+,119+,120-,121-/m0/s1 Image of MNXM524497
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:30]=[CH:32]\[CH2:34]/[CH:36]=[CH:38]\[CH2:40][CH2:42][C:80](=[N:128][C@@H:64]([CH2:56][O:174][C@H:109]1[C@H:95]([OH:161])[C@@H:94]([OH:160])[C@H:98]([O:180][C@H:111]2[C@H:97]([OH:163])[C@@H:107]([O:191][C@:121]3([C:116](=[O:172])[OH:173])[CH2:47][C@H:70]([OH:148])[C@@H:85]([N:126]=[C:62]([CH3:7])[OH:141])[C@H:105]([C@@H:92]([C@@H:76]([CH2:53][OH:134])[O:184][C@:119]4([C:114](=[O:168])[OH:169])[CH2:45][C@H:68]([OH:146])[C@@H:84]([N:125]=[C:61]([CH3:6])[OH:140])[C@H:104]([C@@H:91]([C@@H:75]([CH2:52][OH:133])[O:183][C@:118]5([C:113](=[O:166])[OH:167])[CH2:44][C@H:67]([OH:145])[C@@H:82]([N:123]=[C:59]([CH3:4])[OH:138])[C@H:102]([C@@H:88]([C@@H:72]([CH2:49][OH:130])[OH:150])[OH:154])[O:186]5)[OH:157])[O:188]4)[OH:158])[O:189]3)[C@@H:99]([O:181][C@H:108]3[C@H:86]([N:127]=[C:63]([CH3:8])[OH:142])[C@@H:100]([O:182][C@H:110]4[C@H:96]([OH:162])[C@@H:106]([O:190][C@:120]5([C:115](=[O:170])[OH:171])[CH2:46][C@H:69]([OH:147])[C@@H:83]([N:124]=[C:60]([CH3:5])[OH:139])[C@H:103]([C@@H:89]([C@@H:73]([CH2:50][OH:131])[OH:151])[OH:155])[O:187]5)[C@@H:90]([OH:156])[C@@H:74]([CH2:51][OH:132])[O:176]4)[C@@H:93]([OH:159])[C@@H:79]([CH2:57][O:175][C@:117]4([C:112](=[O:164])[OH:165])[CH2:43][C@H:66]([OH:144])[C@@H:81]([N:122]=[C:58]([CH3:3])[OH:137])[C@H:101]([C@@H:87]([C@@H:71]([CH2:48][OH:129])[OH:149])[OH:153])[O:185]4)[O:179]3)[C@@H:78]([CH2:55][OH:136])[O:178]2)[C@@H:77]([CH2:54][OH:135])[O:177]1)[C@@H:65](/[CH:41]=[CH:39]/[CH2:37][CH2:35][CH2:33][CH2:31][CH2:29][CH2:22][CH2:20][CH2:18][CH2:16][CH2:14][CH2:12][CH2:10][CH3:2])[OH:143])[OH:152]
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:000486097
slm:000486097
RHOIEYHKPGPLKL-RIXCAFEMSA-I 		Ganglioside GP1c alpha (d18:1(4E)/22:6(4Z,7Z,10Z,13Z,16Z,19Z))
GP1c alpha(d18:1(4E)/22:6(4Z,7Z,10Z,13Z,16Z,19Z))
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-(4Z,7Z,10Z,13Z,16Z,19Z-docosahexaenoyl)-sphing-4-enine