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Ganglioside GP1c alpha (d18:1(4E)/20:2(11Z,14Z))

PropertiesImage
MNX_IDMNXM524483 Image of MNXM524483
referenceslm:000486107
formulaC119H194N7O63
global charge-5
mol weight2730.847
InChIKeyRWYDIPKUPBFQPP-KLZBNCHPSA-I
InChIInChI=1S/C119H199N7O63/c1-9-11-13-15-17-19-21-23-24-25-26-28-30-32-34-36-38-40-78(150)126-62(63(141)39-37-35-33-31-29-27-22-20-18-16-14-12-10-2)54-172-107-93(159)92(158)96(75(52-133)175-107)178-109-95(161)105(189-119(114(170)171)45-68(146)83(124-60(7)139)103(187-119)90(156)74(51-132)182-117(112(166)167)43-66(144)82(123-59(6)138)102(186-117)89(155)73(50-131)181-116(111(164)165)42-65(143)80(121-57(4)136)100(184-116)86(152)70(148)47-128)97(76(53-134)176-109)179-106-84(125-61(8)140)98(91(157)77(177-106)55-173-115(110(162)163)41-64(142)79(120-56(3)135)99(183-115)85(151)69(147)46-127)180-108-94(160)104(88(154)72(49-130)174-108)188-118(113(168)169)44-67(145)81(122-58(5)137)101(185-118)87(153)71(149)48-129/h17,19,23-24,37,39,62-77,79-109,127-134,141-149,151-161H,9-16,18,20-22,25-36,38,40-55H2,1-8H3,(H,120,135)(H,121,136)(H,122,137)(H,123,138)(H,124,139)(H,125,140)(H,126,150)(H,162,163)(H,164,165)(H,166,167)(H,168,169)(H,170,171)/p-5/b19-17-,24-23-,39-37+/t62-,63+,64-,65-,66-,67-,68-,69+,70+,71+,72+,73+,74+,75+,76+,77+,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-,107+,108-,109-,115+,116+,117+,118-,119-/m0/s1
SMILESCCCCC/C=C\C/C=C\CCCCCCCCCC(=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/C119H199N7O63/c1-9-11-13-15-17-19-21-23-24-25-26-28-30-32-34-36-38-40-78(150)126-62(63(141)39-37-35-33-31-29-27-22-20-18-16-14-12-10-2)54-172-107-93(159)92(158)96(75(52-133)175-107)178-109-95(161)105(189-119(114(170)171)45-68(146)83(124-60(7)139)103(187-119)90(156)74(51-132)182-117(112(166)167)43-66(144)82(123-59(6)138)102(186-117)89(155)73(50-131)181-116(111(164)165)42-65(143)80(121-57(4)136)100(184-116)86(152)70(148)47-128)97(76(53-134)176-109)179-106-84(125-61(8)140)98(91(157)77(177-106)55-173-115(110(162)163)41-64(142)79(120-56(3)135)99(183-115)85(151)69(147)46-127)180-108-94(160)104(88(154)72(49-130)174-108)188-118(113(168)169)44-67(145)81(122-58(5)137)101(185-118)87(153)71(149)48-129/h17,19,23-24,37,39,62-77,79-109,127-134,141-149,151-161H,9-16,18,20-22,25-36,38,40-55H2,1-8H3,(H,120,135)(H,121,136)(H,122,137)(H,123,138)(H,124,139)(H,125,140)(H,126,150)(H,162,163)(H,164,165)(H,166,167)(H,168,169)(H,170,171)/b19-17-,24-23-,39-37+/t62-,63+,64-,65-,66-,67-,68-,69+,70+,71+,72+,73+,74+,75+,76+,77+,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-,107+,108-,109-,115+,116+,117+,118-,119-/m0/s1 Image of MNXM524483
SMILES (mnx)[CH3:1][CH2:9][CH2:11][CH2:13][CH2:15]/[CH:17]=[CH:19]\[CH2:21]/[CH:23]=[CH:24]\[CH2:25][CH2:26][CH2:28][CH2:30][CH2:32][CH2:34][CH2:36][CH2:38][CH2:40][C:78](=[N:126][C@@H:62]([CH2:54][O:172][C@H:107]1[C@H:93]([OH:159])[C@@H:92]([OH:158])[C@H:96]([O:178][C@H:109]2[C@H:95]([OH:161])[C@@H:105]([O:189][C@:119]3([C:114](=[O:170])[OH:171])[CH2:45][C@H:68]([OH:146])[C@@H:83]([N:124]=[C:60]([CH3:7])[OH:139])[C@H:103]([C@@H:90]([C@@H:74]([CH2:51][OH:132])[O:182][C@:117]4([C:112](=[O:166])[OH:167])[CH2:43][C@H:66]([OH:144])[C@@H:82]([N:123]=[C:59]([CH3:6])[OH:138])[C@H:102]([C@@H:89]([C@@H:73]([CH2:50][OH:131])[O:181][C@:116]5([C:111](=[O:164])[OH:165])[CH2:42][C@H:65]([OH:143])[C@@H:80]([N:121]=[C:57]([CH3:4])[OH:136])[C@H:100]([C@@H:86]([C@@H:70]([CH2:47][OH:128])[OH:148])[OH:152])[O:184]5)[OH:155])[O:186]4)[OH:156])[O:187]3)[C@@H:97]([O:179][C@H:106]3[C@H:84]([N:125]=[C:61]([CH3:8])[OH:140])[C@@H:98]([O:180][C@H:108]4[C@H:94]([OH:160])[C@@H:104]([O:188][C@:118]5([C:113](=[O:168])[OH:169])[CH2:44][C@H:67]([OH:145])[C@@H:81]([N:122]=[C:58]([CH3:5])[OH:137])[C@H:101]([C@@H:87]([C@@H:71]([CH2:48][OH:129])[OH:149])[OH:153])[O:185]5)[C@@H:88]([OH:154])[C@@H:72]([CH2:49][OH:130])[O:174]4)[C@@H:91]([OH:157])[C@@H:77]([CH2:55][O:173][C@:115]4([C:110](=[O:162])[OH:163])[CH2:41][C@H:64]([OH:142])[C@@H:79]([N:120]=[C:56]([CH3:3])[OH:135])[C@H:99]([C@@H:85]([C@@H:69]([CH2:46][OH:127])[OH:147])[OH:151])[O:183]4)[O:177]3)[C@@H:76]([CH2:53][OH:134])[O:176]2)[C@@H:75]([CH2:52][OH:133])[O:175]1)[C@@H:63](/[CH:39]=[CH:37]/[CH2:35][CH2:33][CH2:31][CH2:29][CH2:27][CH2:22][CH2:20][CH2:18][CH2:16][CH2:14][CH2:12][CH2:10][CH3:2])[OH:141])[OH:150]
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:000486107
slm:000486107
RWYDIPKUPBFQPP-KLZBNCHPSA-I 		Ganglioside GP1c alpha (d18:1(4E)/20:2(11Z,14Z))
GP1c alpha(d18:1(4E)/20:2(11Z,14Z))
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-(11Z,14Z-eicosadienoyl)-sphing-4-enine