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Ganglioside GP1c (d18:1(4E)/38:5(20Z,23Z,26Z,29Z,32Z))

PropertiesImage
MNX_IDMNXM524450 Image of MNXM524450
referenceslm:000486915
formulaC137H224N7O63
global charge-5
mol weight2977.285
InChIKeyGWXYQMMGFPEQRP-JUOIYUMVSA-I
InChIInChI=1S/C137H229N7O63/c1-9-11-13-15-17-19-21-23-24-25-26-27-28-29-30-31-32-33-34-35-36-37-38-39-40-41-42-43-44-46-48-50-52-54-56-58-96(168)144-80(81(160)57-55-53-51-49-47-45-22-20-18-16-14-12-10-2)73-190-125-111(177)110(176)114(94(71-152)193-125)195-127-113(179)123(207-137(132(188)189)63-86(165)101(142-78(7)158)121(205-137)109(175)93(70-151)200-135(130(184)185)61-84(163)99(140-76(5)156)119(203-135)107(173)91(68-149)198-133(128(180)181)59-82(161)97(138-74(3)154)117(201-133)103(169)87(166)64-145)115(95(72-153)194-127)196-124-102(143-79(8)159)116(105(171)89(66-147)191-124)197-126-112(178)122(106(172)90(67-148)192-126)206-136(131(186)187)62-85(164)100(141-77(6)157)120(204-136)108(174)92(69-150)199-134(129(182)183)60-83(162)98(139-75(4)155)118(202-134)104(170)88(167)65-146/h17,19,23-24,26-27,29-30,32-33,55,57,80-95,97-127,145-153,160-167,169-179H,9-16,18,20-22,25,28,31,34-54,56,58-73H2,1-8H3,(H,138,154)(H,139,155)(H,140,156)(H,141,157)(H,142,158)(H,143,159)(H,144,168)(H,180,181)(H,182,183)(H,184,185)(H,186,187)(H,188,189)/p-5/b19-17-,24-23-,27-26-,30-29-,33-32-,57-55+/t80-,81+,82-,83-,84-,85-,86-,87+,88+,89+,90+,91+,92+,93+,94+,95+,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+,126-,127-,133+,134+,135+,136-,137-/m0/s1
SMILESCCCCC/C=C\C/C=C\C/C=C\C/C=C\C/C=C\CCCCCCCCCCCCCCCCCCC(=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/C137H229N7O63/c1-9-11-13-15-17-19-21-23-24-25-26-27-28-29-30-31-32-33-34-35-36-37-38-39-40-41-42-43-44-46-48-50-52-54-56-58-96(168)144-80(81(160)57-55-53-51-49-47-45-22-20-18-16-14-12-10-2)73-190-125-111(177)110(176)114(94(71-152)193-125)195-127-113(179)123(207-137(132(188)189)63-86(165)101(142-78(7)158)121(205-137)109(175)93(70-151)200-135(130(184)185)61-84(163)99(140-76(5)156)119(203-135)107(173)91(68-149)198-133(128(180)181)59-82(161)97(138-74(3)154)117(201-133)103(169)87(166)64-145)115(95(72-153)194-127)196-124-102(143-79(8)159)116(105(171)89(66-147)191-124)197-126-112(178)122(106(172)90(67-148)192-126)206-136(131(186)187)62-85(164)100(141-77(6)157)120(204-136)108(174)92(69-150)199-134(129(182)183)60-83(162)98(139-75(4)155)118(202-134)104(170)88(167)65-146/h17,19,23-24,26-27,29-30,32-33,55,57,80-95,97-127,145-153,160-167,169-179H,9-16,18,20-22,25,28,31,34-54,56,58-73H2,1-8H3,(H,138,154)(H,139,155)(H,140,156)(H,141,157)(H,142,158)(H,143,159)(H,144,168)(H,180,181)(H,182,183)(H,184,185)(H,186,187)(H,188,189)/b19-17-,24-23-,27-26-,30-29-,33-32-,57-55+/t80-,81+,82-,83-,84-,85-,86-,87+,88+,89+,90+,91+,92+,93+,94+,95+,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+,126-,127-,133+,134+,135+,136-,137-/m0/s1 Image of MNXM524450
SMILES (mnx)[CH3:1][CH2:9][CH2:11][CH2:13][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][CH2:39][CH2:40][CH2:41][CH2:42][CH2:43][CH2:44][CH2:46][CH2:48][CH2:50][CH2:52][CH2:54][CH2:56][CH2:58][C:96](=[N:144][C@@H:80]([CH2:73][O:190][C@H:125]1[C@H:111]([OH:177])[C@@H:110]([OH:176])[C@H:114]([O:195][C@H:127]2[C@H:113]([OH:179])[C@@H:123]([O:207][C@:137]3([C:132](=[O:188])[OH:189])[CH2:63][C@H:86]([OH:165])[C@@H:101]([N:142]=[C:78]([CH3:7])[OH:158])[C@H:121]([C@@H:109]([C@@H:93]([CH2:70][OH:151])[O:200][C@:135]4([C:130](=[O:184])[OH:185])[CH2:61][C@H:84]([OH:163])[C@@H:99]([N:140]=[C:76]([CH3:5])[OH:156])[C@H:119]([C@@H:107]([C@@H:91]([CH2:68][OH:149])[O:198][C@:133]5([C:128](=[O:180])[OH:181])[CH2:59][C@H:82]([OH:161])[C@@H:97]([N:138]=[C:74]([CH3:3])[OH:154])[C@H:117]([C@@H:103]([C@@H:87]([CH2:64][OH:145])[OH:166])[OH:169])[O:201]5)[OH:173])[O:203]4)[OH:175])[O:205]3)[C@@H:115]([O:196][C@H:124]3[C@H:102]([N:143]=[C:79]([CH3:8])[OH:159])[C@@H:116]([O:197][C@H:126]4[C@H:112]([OH:178])[C@@H:122]([O:206][C@:136]5([C:131](=[O:186])[OH:187])[CH2:62][C@H:85]([OH:164])[C@@H:100]([N:141]=[C:77]([CH3:6])[OH:157])[C@H:120]([C@@H:108]([C@@H:92]([CH2:69][OH:150])[O:199][C@:134]6([C:129](=[O:182])[OH:183])[CH2:60][C@H:83]([OH:162])[C@@H:98]([N:139]=[C:75]([CH3:4])[OH:155])[C@H:118]([C@@H:104]([C@@H:88]([CH2:65][OH:146])[OH:167])[OH:170])[O:202]6)[OH:174])[O:204]5)[C@@H:106]([OH:172])[C@@H:90]([CH2:67][OH:148])[O:192]4)[C@@H:105]([OH:171])[C@@H:89]([CH2:66][OH:147])[O:191]3)[C@@H:95]([CH2:72][OH:153])[O:194]2)[C@@H:94]([CH2:71][OH:152])[O:193]1)[C@@H:81](/[CH:57]=[CH:55]/[CH2:53][CH2:51][CH2:49][CH2:47][CH2:45][CH2:22][CH2:20][CH2:18][CH2:16][CH2:14][CH2:12][CH2:10][CH3:2])[OH:160])[OH:168]
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:000486915
slm:000486915
GWXYQMMGFPEQRP-JUOIYUMVSA-I 		Ganglioside GP1c (d18:1(4E)/38:5(20Z,23Z,26Z,29Z,32Z))
GP1c(d18:1(4E)/38:5(20Z,23Z,26Z,29Z,32Z))
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-(20Z,23Z,26Z,29Z,32Z-octatriacontapentaenoyl)-sphing-4-enine