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Ganglioside GP1c (d18:1(4E)/36:5(21Z,24Z,27Z,30Z,33Z))

PropertiesImage
MNX_IDMNXM524447 Image of MNXM524447
referenceslm:000486860
formulaC135H220N7O63
global charge-5
mol weight2949.231
InChIKeyHUDCUDPGLJJWOD-WYWCPMFVSA-I
InChIInChI=1S/C135H225N7O63/c1-9-11-13-15-17-19-21-23-24-25-26-27-28-29-30-31-32-33-34-35-36-37-38-39-40-41-42-44-46-48-50-52-54-56-94(166)142-78(79(158)55-53-51-49-47-45-43-22-20-18-16-14-12-10-2)71-188-123-109(175)108(174)112(92(69-150)191-123)193-125-111(177)121(205-135(130(186)187)61-84(163)99(140-76(7)156)119(203-135)107(173)91(68-149)198-133(128(182)183)59-82(161)97(138-74(5)154)117(201-133)105(171)89(66-147)196-131(126(178)179)57-80(159)95(136-72(3)152)115(199-131)101(167)85(164)62-143)113(93(70-151)192-125)194-122-100(141-77(8)157)114(103(169)87(64-145)189-122)195-124-110(176)120(104(170)88(65-146)190-124)204-134(129(184)185)60-83(162)98(139-75(6)155)118(202-134)106(172)90(67-148)197-132(127(180)181)58-81(160)96(137-73(4)153)116(200-132)102(168)86(165)63-144/h11,13,17,19,23-24,26-27,29-30,53,55,78-93,95-125,143-151,158-165,167-177H,9-10,12,14-16,18,20-22,25,28,31-52,54,56-71H2,1-8H3,(H,136,152)(H,137,153)(H,138,154)(H,139,155)(H,140,156)(H,141,157)(H,142,166)(H,178,179)(H,180,181)(H,182,183)(H,184,185)(H,186,187)/p-5/b13-11-,19-17-,24-23-,27-26-,30-29-,55-53+/t78-,79+,80-,81-,82-,83-,84-,85+,86+,87+,88+,89+,90+,91+,92+,93+,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+,122-,123+,124-,125-,131+,132+,133+,134-,135-/m0/s1
SMILESCC/C=C\C/C=C\C/C=C\C/C=C\C/C=C\CCCCCCCCCCCCCCCCCCCC(=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/C135H225N7O63/c1-9-11-13-15-17-19-21-23-24-25-26-27-28-29-30-31-32-33-34-35-36-37-38-39-40-41-42-44-46-48-50-52-54-56-94(166)142-78(79(158)55-53-51-49-47-45-43-22-20-18-16-14-12-10-2)71-188-123-109(175)108(174)112(92(69-150)191-123)193-125-111(177)121(205-135(130(186)187)61-84(163)99(140-76(7)156)119(203-135)107(173)91(68-149)198-133(128(182)183)59-82(161)97(138-74(5)154)117(201-133)105(171)89(66-147)196-131(126(178)179)57-80(159)95(136-72(3)152)115(199-131)101(167)85(164)62-143)113(93(70-151)192-125)194-122-100(141-77(8)157)114(103(169)87(64-145)189-122)195-124-110(176)120(104(170)88(65-146)190-124)204-134(129(184)185)60-83(162)98(139-75(6)155)118(202-134)106(172)90(67-148)197-132(127(180)181)58-81(160)96(137-73(4)153)116(200-132)102(168)86(165)63-144/h11,13,17,19,23-24,26-27,29-30,53,55,78-93,95-125,143-151,158-165,167-177H,9-10,12,14-16,18,20-22,25,28,31-52,54,56-71H2,1-8H3,(H,136,152)(H,137,153)(H,138,154)(H,139,155)(H,140,156)(H,141,157)(H,142,166)(H,178,179)(H,180,181)(H,182,183)(H,184,185)(H,186,187)/b13-11-,19-17-,24-23-,27-26-,30-29-,55-53+/t78-,79+,80-,81-,82-,83-,84-,85+,86+,87+,88+,89+,90+,91+,92+,93+,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+,122-,123+,124-,125-,131+,132+,133+,134-,135-/m0/s1 Image of MNXM524447
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][CH2:32][CH2:33][CH2:34][CH2:35][CH2:36][CH2:37][CH2:38][CH2:39][CH2:40][CH2:41][CH2:42][CH2:44][CH2:46][CH2:48][CH2:50][CH2:52][CH2:54][CH2:56][C:94](=[N:142][C@@H:78]([CH2:71][O:188][C@H:123]1[C@H:109]([OH:175])[C@@H:108]([OH:174])[C@H:112]([O:193][C@H:125]2[C@H:111]([OH:177])[C@@H:121]([O:205][C@:135]3([C:130](=[O:186])[OH:187])[CH2:61][C@H:84]([OH:163])[C@@H:99]([N:140]=[C:76]([CH3:7])[OH:156])[C@H:119]([C@@H:107]([C@@H:91]([CH2:68][OH:149])[O:198][C@:133]4([C:128](=[O:182])[OH:183])[CH2:59][C@H:82]([OH:161])[C@@H:97]([N:138]=[C:74]([CH3:5])[OH:154])[C@H:117]([C@@H:105]([C@@H:89]([CH2:66][OH:147])[O:196][C@:131]5([C:126](=[O:178])[OH:179])[CH2:57][C@H:80]([OH:159])[C@@H:95]([N:136]=[C:72]([CH3:3])[OH:152])[C@H:115]([C@@H:101]([C@@H:85]([CH2:62][OH:143])[OH:164])[OH:167])[O:199]5)[OH:171])[O:201]4)[OH:173])[O:203]3)[C@@H:113]([O:194][C@H:122]3[C@H:100]([N:141]=[C:77]([CH3:8])[OH:157])[C@@H:114]([O:195][C@H:124]4[C@H:110]([OH:176])[C@@H:120]([O:204][C@:134]5([C:129](=[O:184])[OH:185])[CH2:60][C@H:83]([OH:162])[C@@H:98]([N:139]=[C:75]([CH3:6])[OH:155])[C@H:118]([C@@H:106]([C@@H:90]([CH2:67][OH:148])[O:197][C@:132]6([C:127](=[O:180])[OH:181])[CH2:58][C@H:81]([OH:160])[C@@H:96]([N:137]=[C:73]([CH3:4])[OH:153])[C@H:116]([C@@H:102]([C@@H:86]([CH2:63][OH:144])[OH:165])[OH:168])[O:200]6)[OH:172])[O:202]5)[C@@H:104]([OH:170])[C@@H:88]([CH2:65][OH:146])[O:190]4)[C@@H:103]([OH:169])[C@@H:87]([CH2:64][OH:145])[O:189]3)[C@@H:93]([CH2:70][OH:151])[O:192]2)[C@@H:92]([CH2:69][OH:150])[O:191]1)[C@@H:79](/[CH:55]=[CH:53]/[CH2:51][CH2:49][CH2:47][CH2:45][CH2:43][CH2:22][CH2:20][CH2:18][CH2:16][CH2:14][CH2:12][CH2:10][CH3:2])[OH:158])[OH:166]
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:000486860
slm:000486860
HUDCUDPGLJJWOD-WYWCPMFVSA-I 		Ganglioside GP1c (d18:1(4E)/36:5(21Z,24Z,27Z,30Z,33Z))
GP1c(d18:1(4E)/36:5(21Z,24Z,27Z,30Z,33Z))
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-(21Z,24Z,27Z,30Z,33Z-hexatriacontapentaenoyl)-sphing-4-enine