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Ganglioside GP1c (d18:1(4E)/14:1(9Z))

PropertiesImage
MNX_IDMNXM524378 Image of MNXM524378
referenceslm:000486911
formulaC113H184N7O63
global charge-5
mol weight2648.701
InChIKeyYHTNUUOKVULXHX-GAPRZRLCSA-I
InChIInChI=1S/C113H189N7O63/c1-9-11-13-15-17-19-21-22-24-25-27-29-31-33-57(136)56(120-72(144)34-32-30-28-26-23-20-18-16-14-12-10-2)49-166-101-87(153)86(152)90(70(47-128)169-101)171-103-89(155)99(183-113(108(164)165)39-62(141)77(118-54(7)134)97(181-113)85(151)69(46-127)176-111(106(160)161)37-60(139)75(116-52(5)132)95(179-111)83(149)67(44-125)174-109(104(156)157)35-58(137)73(114-50(3)130)93(177-109)79(145)63(142)40-121)91(71(48-129)170-103)172-100-78(119-55(8)135)92(81(147)65(42-123)167-100)173-102-88(154)98(82(148)66(43-124)168-102)182-112(107(162)163)38-61(140)76(117-53(6)133)96(180-112)84(150)68(45-126)175-110(105(158)159)36-59(138)74(115-51(4)131)94(178-110)80(146)64(143)41-122/h16,18,31,33,56-71,73-103,121-129,136-143,145-155H,9-15,17,19-30,32,34-49H2,1-8H3,(H,114,130)(H,115,131)(H,116,132)(H,117,133)(H,118,134)(H,119,135)(H,120,144)(H,156,157)(H,158,159)(H,160,161)(H,162,163)(H,164,165)/p-5/b18-16-,33-31+/t56-,57+,58-,59-,60-,61-,62-,63+,64+,65+,66+,67+,68+,69+,70+,71+,73+,74+,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-,109+,110+,111+,112-,113-/m0/s1
SMILESCCCC/C=C\CCCCCCCC(=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/C113H189N7O63/c1-9-11-13-15-17-19-21-22-24-25-27-29-31-33-57(136)56(120-72(144)34-32-30-28-26-23-20-18-16-14-12-10-2)49-166-101-87(153)86(152)90(70(47-128)169-101)171-103-89(155)99(183-113(108(164)165)39-62(141)77(118-54(7)134)97(181-113)85(151)69(46-127)176-111(106(160)161)37-60(139)75(116-52(5)132)95(179-111)83(149)67(44-125)174-109(104(156)157)35-58(137)73(114-50(3)130)93(177-109)79(145)63(142)40-121)91(71(48-129)170-103)172-100-78(119-55(8)135)92(81(147)65(42-123)167-100)173-102-88(154)98(82(148)66(43-124)168-102)182-112(107(162)163)38-61(140)76(117-53(6)133)96(180-112)84(150)68(45-126)175-110(105(158)159)36-59(138)74(115-51(4)131)94(178-110)80(146)64(143)41-122/h16,18,31,33,56-71,73-103,121-129,136-143,145-155H,9-15,17,19-30,32,34-49H2,1-8H3,(H,114,130)(H,115,131)(H,116,132)(H,117,133)(H,118,134)(H,119,135)(H,120,144)(H,156,157)(H,158,159)(H,160,161)(H,162,163)(H,164,165)/b18-16-,33-31+/t56-,57+,58-,59-,60-,61-,62-,63+,64+,65+,66+,67+,68+,69+,70+,71+,73+,74+,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-,109+,110+,111+,112-,113-/m0/s1 Image of MNXM524378
SMILES (mnx)[CH3:1][CH2:9][CH2:11][CH2:13][CH2:15][CH2:17][CH2:19][CH2:21][CH2:22][CH2:24][CH2:25][CH2:27][CH2:29]/[CH:31]=[CH:33]/[C@H:57]([C@H:56]([CH2:49][O:166][C@H:101]1[C@H:87]([OH:153])[C@@H:86]([OH:152])[C@H:90]([O:171][C@H:103]2[C@H:89]([OH:155])[C@@H:99]([O:183][C@:113]3([C:108](=[O:164])[OH:165])[CH2:39][C@H:62]([OH:141])[C@@H:77]([N:118]=[C:54]([CH3:7])[OH:134])[C@H:97]([C@@H:85]([C@@H:69]([CH2:46][OH:127])[O:176][C@:111]4([C:106](=[O:160])[OH:161])[CH2:37][C@H:60]([OH:139])[C@@H:75]([N:116]=[C:52]([CH3:5])[OH:132])[C@H:95]([C@@H:83]([C@@H:67]([CH2:44][OH:125])[O:174][C@:109]5([C:104](=[O:156])[OH:157])[CH2:35][C@H:58]([OH:137])[C@@H:73]([N:114]=[C:50]([CH3:3])[OH:130])[C@H:93]([C@@H:79]([C@@H:63]([CH2:40][OH:121])[OH:142])[OH:145])[O:177]5)[OH:149])[O:179]4)[OH:151])[O:181]3)[C@@H:91]([O:172][C@H:100]3[C@H:78]([N:119]=[C:55]([CH3:8])[OH:135])[C@@H:92]([O:173][C@H:102]4[C@H:88]([OH:154])[C@@H:98]([O:182][C@:112]5([C:107](=[O:162])[OH:163])[CH2:38][C@H:61]([OH:140])[C@@H:76]([N:117]=[C:53]([CH3:6])[OH:133])[C@H:96]([C@@H:84]([C@@H:68]([CH2:45][OH:126])[O:175][C@:110]6([C:105](=[O:158])[OH:159])[CH2:36][C@H:59]([OH:138])[C@@H:74]([N:115]=[C:51]([CH3:4])[OH:131])[C@H:94]([C@@H:80]([C@@H:64]([CH2:41][OH:122])[OH:143])[OH:146])[O:178]6)[OH:150])[O:180]5)[C@@H:82]([OH:148])[C@@H:66]([CH2:43][OH:124])[O:168]4)[C@@H:81]([OH:147])[C@@H:65]([CH2:42][OH:123])[O:167]3)[C@@H:71]([CH2:48][OH:129])[O:170]2)[C@@H:70]([CH2:47][OH:128])[O:169]1)[N:120]=[C:72]([CH2:34][CH2:32][CH2:30][CH2:28][CH2:26][CH2:23][CH2:20]/[CH:18]=[CH:16]\[CH2:14][CH2:12][CH2:10][CH3:2])[OH:144])[OH:136]
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:000486911
slm:000486911
YHTNUUOKVULXHX-GAPRZRLCSA-I 		Ganglioside GP1c (d18:1(4E)/14:1(9Z))
GP1c(d18:1(4E)/14:1(9Z))
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-(9Z-tetradecenoyl)-sphing-4-enine