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Galalpha1-3Galbeta1-4GlcNAcbeta1-3(Galalpha1-3Galbeta1-4GlcNAcbeta1-6)Galbeta1-4GlcNAcbeta1-3(GlcNAcbeta1-6)Galbeta1-4GlcNAcbeta1-3Galbeta1-4GlcCer (d18:1/26:0)

PropertiesImage
MNX_IDMNXM26239 Image of MNXM26239
referenceglycosphingo:SYHLKSSPQSVSJY_QDLHXVIHSA_N
formulaC132H232N6O68
global charge0
mol weight2991.282
InChIKeySYHLKSSPQSVSJY-QDLHXVIHSA-N
InChIInChI=1S/C132H232N6O68/c1-8-10-12-14-16-18-20-22-23-24-25-26-27-28-29-30-31-33-35-37-39-41-43-45-80(156)138-65(66(155)44-42-40-38-36-34-32-21-19-17-15-13-11-9-2)57-181-125-104(175)101(172)114(77(56-149)194-125)201-130-105(176)115(89(160)70(49-142)189-130)202-122-83(135-62(5)152)97(168)112(75(54-147)191-122)199-131-108(179)118(92(163)78(195-131)58-182-120-81(133-60(3)150)94(165)86(157)67(46-139)184-120)203-124-85(137-64(7)154)98(169)113(76(55-148)193-124)200-132-109(180)119(204-123-84(136-63(6)153)96(167)111(74(53-146)192-123)198-129-107(178)117(91(162)72(51-144)188-129)206-127-103(174)100(171)88(159)69(48-141)186-127)93(164)79(196-132)59-183-121-82(134-61(4)151)95(166)110(73(52-145)190-121)197-128-106(177)116(90(161)71(50-143)187-128)205-126-102(173)99(170)87(158)68(47-140)185-126/h42,44,65-79,81-132,139-149,155,157-180H,8-41,43,45-59H2,1-7H3,(H,133,150)(H,134,151)(H,135,152)(H,136,153)(H,137,154)(H,138,156)/b44-42+/t65-,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+,112+,113+,114+,115-,116-,117-,118-,119-,120+,121+,122-,123-,124-,125+,126+,127+,128-,129-,130-,131-,132-/m0/s1
SMILESCCCCCCCCCCCCC/C=C/[C@@H](O)[C@H](CO[C@@H]1O[C@H](CO)[C@@H](O[C@@H]2O[C@H](CO)[C@H](O)[C@H](O[C@@H]3O[C@H](CO)[C@@H](O[C@@H]4O[C@H](CO[C@@H]5O[C@H](CO)[C@@H](O)[C@H](O)[C@H]5NC(C)=O)[C@H](O)[C@H](O[C@@H]5O[C@H](CO)[C@@H](O[C@@H]6O[C@H](CO[C@@H]7O[C@H](CO)[C@@H](O[C@@H]8O[C@H](CO)[C@H](O)[C@H](O[C@H]9O[C@H](CO)[C@H](O)[C@H](O)[C@H]9O)[C@H]8O)[C@H](O)[C@H]7NC(C)=O)[C@H](O)[C@H](O[C@@H]7O[C@H](CO)[C@@H](O[C@@H]8O[C@H](CO)[C@H](O)[C@H](O[C@H]9O[C@H](CO)[C@H](O)[C@H](O)[C@H]9O)[C@H]8O)[C@H](O)[C@H]7NC(C)=O)[C@H]6O)[C@H](O)[C@H]5NC(C)=O)[C@H]4O)[C@H](O)[C@H]3NC(C)=O)[C@H]2O)[C@H](O)[C@H]1O)NC(=O)CCCCCCCCCCCCCCCCCCCCCCCCC
MNX internals
InChI (mnx)InChI=1/C132H232N6O68/c1-8-10-12-14-16-18-20-22-23-24-25-26-27-28-29-30-31-33-35-37-39-41-43-45-80(156)138-65(66(155)44-42-40-38-36-34-32-21-19-17-15-13-11-9-2)57-181-125-104(175)101(172)114(77(56-149)194-125)201-130-105(176)115(89(160)70(49-142)189-130)202-122-83(135-62(5)152)97(168)112(75(54-147)191-122)199-131-108(179)118(92(163)78(195-131)58-182-120-81(133-60(3)150)94(165)86(157)67(46-139)184-120)203-124-85(137-64(7)154)98(169)113(76(55-148)193-124)200-132-109(180)119(204-123-84(136-63(6)153)96(167)111(74(53-146)192-123)198-129-107(178)117(91(162)72(51-144)188-129)206-127-103(174)100(171)88(159)69(48-141)186-127)93(164)79(196-132)59-183-121-82(134-61(4)151)95(166)110(73(52-145)190-121)197-128-106(177)116(90(161)71(50-143)187-128)205-126-102(173)99(170)87(158)68(47-140)185-126/h42,44,65-79,81-132,139-149,155,157-180H,8-41,43,45-59H2,1-7H3,(H,133,150)(H,134,151)(H,135,152)(H,136,153)(H,137,154)(H,138,156)/b44-42+/t65-,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+,112+,113+,114+,115-,116-,117-,118-,119-,120+,121+,122-,123-,124-,125+,126+,127+,128-,129-,130-,131-,132-/m0/s1 Image of MNXM26239
SMILES (mnx)[CH3:1][CH2:8][CH2:10][CH2:12][CH2:14][CH2:16][CH2:18][CH2:20][CH2:22][CH2:23][CH2:24][CH2:25][CH2:26][CH2:27][CH2:28][CH2:29][CH2:30][CH2:31][CH2:33][CH2:35][CH2:37][CH2:39][CH2:41][CH2:43][CH2:45][C:80](=[N:138][C@@H:65]([CH2:57][O:181][C@H:125]1[C@H:104]([OH:175])[C@@H:101]([OH:172])[C@H:114]([O:201][C@H:130]2[C@H:105]([OH:176])[C@@H:115]([O:202][C@H:122]3[C@H:83]([N:135]=[C:62]([CH3:5])[OH:152])[C@@H:97]([OH:168])[C@H:112]([O:199][C@H:131]4[C@H:108]([OH:179])[C@@H:118]([O:203][C@H:124]5[C@H:85]([N:137]=[C:64]([CH3:7])[OH:154])[C@@H:98]([OH:169])[C@H:113]([O:200][C@H:132]6[C@H:109]([OH:180])[C@@H:119]([O:204][C@H:123]7[C@H:84]([N:136]=[C:63]([CH3:6])[OH:153])[C@@H:96]([OH:167])[C@H:111]([O:198][C@H:129]8[C@H:107]([OH:178])[C@@H:117]([O:206][C@@H:127]9[C@H:103]([OH:174])[C@@H:100]([OH:171])[C@@H:88]([OH:159])[C@@H:69]([CH2:48][OH:141])[O:186]9)[C@@H:91]([OH:162])[C@@H:72]([CH2:51][OH:144])[O:188]8)[C@@H:74]([CH2:53][OH:146])[O:192]7)[C@@H:93]([OH:164])[C@@H:79]([CH2:59][O:183][C@H:121]7[C@H:82]([N:134]=[C:61]([CH3:4])[OH:151])[C@@H:95]([OH:166])[C@H:110]([O:197][C@H:128]8[C@H:106]([OH:177])[C@@H:116]([O:205][C@@H:126]9[C@H:102]([OH:173])[C@@H:99]([OH:170])[C@@H:87]([OH:158])[C@@H:68]([CH2:47][OH:140])[O:185]9)[C@@H:90]([OH:161])[C@@H:71]([CH2:50][OH:143])[O:187]8)[C@@H:73]([CH2:52][OH:145])[O:190]7)[O:196]6)[C@@H:76]([CH2:55][OH:148])[O:193]5)[C@@H:92]([OH:163])[C@@H:78]([CH2:58][O:182][C@H:120]5[C@H:81]([N:133]=[C:60]([CH3:3])[OH:150])[C@@H:94]([OH:165])[C@H:86]([OH:157])[C@@H:67]([CH2:46][OH:139])[O:184]5)[O:195]4)[C@@H:75]([CH2:54][OH:147])[O:191]3)[C@@H:89]([OH:160])[C@@H:70]([CH2:49][OH:142])[O:189]2)[C@@H:77]([CH2:56][OH:149])[O:194]1)[C@@H:66](/[CH:44]=[CH:42]/[CH2:40][CH2:38][CH2:36][CH2:34][CH2:32][CH2:21][CH2:19][CH2:17][CH2:15][CH2:13][CH2:11][CH2:9][CH3:2])[OH:155])[OH:156]
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
glycosphingo:SYHLKSSPQSVSJY_QDLHXVIHSA_N
SYHLKSSPQSVSJY-QDLHXVIHSA-N 		Galalpha1-3Galbeta1-4GlcNAcbeta1-3(Galalpha1-3Galbeta1-4GlcNAcbeta1-6)Galbeta1-4GlcNAcbeta1-3(GlcNAcbeta1-6)Galbeta1-4GlcNAcbeta1-3Galbeta1-4GlcCer (d18:1/26:0)

lipidmaps:LMSP0505BZ06
lipidmapsM:LMSP0505BZ06
SYHLKSSPQSVSJY-QDLHXVIHSA-N 		Galalpha1-3Galbeta1-4GlcNAcbeta1-3(Galalpha1-3Galbeta1-4GlcNAcbeta1-6)Galbeta1-4GlcNAcbeta1-3(GlcNAcbeta1-6)Galbeta1-4GlcNAcbeta1-3Galbeta1-4Glcbeta-Cer(d18:1/26:0)
Hex(8)-HexNAc(5)-Cer 44:1
O2