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Galalpha1-3Galbeta1-4GlcNAcbeta1-3(GlcNAcbeta1-6)Galbeta1-4GlcNAcbeta1-3(Galalpha1-3Galbeta1-4GlcNAcbeta1-6)Galbeta1-4GlcNAcbeta1-3Galbeta1-4GlcCer (d18:1/15Z-24:1)

PropertiesImage
MNX_IDMNXM26237 Image of MNXM26237
referenceglycosphingo:MJDJPXZBXLAYPJ_SHDMCVCGSA_N
formulaC130H226N6O68
global charge0
mol weight2961.212
InChIKeyMJDJPXZBXLAYPJ-SHDMCVCGSA-N
InChIInChI=1S/C130H226N6O68/c1-8-10-12-14-16-18-20-22-23-24-25-26-27-28-29-31-33-35-37-39-41-43-78(154)136-63(64(153)42-40-38-36-34-32-30-21-19-17-15-13-11-9-2)55-179-123-102(173)99(170)112(75(54-147)192-123)199-128-103(174)113(87(158)68(47-140)187-128)200-120-81(133-60(5)150)95(166)110(73(52-145)189-120)197-130-107(178)117(91(162)77(194-130)57-181-119-80(132-59(4)149)93(164)108(71(50-143)188-119)195-126-104(175)114(88(159)69(48-141)185-126)203-124-100(171)97(168)85(156)66(45-138)183-124)202-122-83(135-62(7)152)96(167)111(74(53-146)191-122)198-129-106(177)116(90(161)76(193-129)56-180-118-79(131-58(3)148)92(163)84(155)65(44-137)182-118)201-121-82(134-61(6)151)94(165)109(72(51-144)190-121)196-127-105(176)115(89(160)70(49-142)186-127)204-125-101(172)98(169)86(157)67(46-139)184-125/h22-23,40,42,63-77,79-130,137-147,153,155-178H,8-21,24-39,41,43-57H2,1-7H3,(H,131,148)(H,132,149)(H,133,150)(H,134,151)(H,135,152)(H,136,154)/b23-22-,42-40+/t63-,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+,110+,111+,112+,113-,114-,115-,116-,117-,118+,119+,120-,121-,122-,123+,124+,125+,126-,127-,128-,129-,130-/m0/s1
SMILESCCCCCCCC/C=C\CCCCCCCCCCCCCC(=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](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]6O[C@H](CO)[C@H](O)[C@H](O[C@H]7O[C@H](CO)[C@H](O)[C@H](O)[C@H]7O)[C@H]6O)[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](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)[C@H](O)/C=C/CCCCCCCCCCCCC
MNX internals
InChI (mnx)InChI=1/C130H226N6O68/c1-8-10-12-14-16-18-20-22-23-24-25-26-27-28-29-31-33-35-37-39-41-43-78(154)136-63(64(153)42-40-38-36-34-32-30-21-19-17-15-13-11-9-2)55-179-123-102(173)99(170)112(75(54-147)192-123)199-128-103(174)113(87(158)68(47-140)187-128)200-120-81(133-60(5)150)95(166)110(73(52-145)189-120)197-130-107(178)117(91(162)77(194-130)57-181-119-80(132-59(4)149)93(164)108(71(50-143)188-119)195-126-104(175)114(88(159)69(48-141)185-126)203-124-100(171)97(168)85(156)66(45-138)183-124)202-122-83(135-62(7)152)96(167)111(74(53-146)191-122)198-129-106(177)116(90(161)76(193-129)56-180-118-79(131-58(3)148)92(163)84(155)65(44-137)182-118)201-121-82(134-61(6)151)94(165)109(72(51-144)190-121)196-127-105(176)115(89(160)70(49-142)186-127)204-125-101(172)98(169)86(157)67(46-139)184-125/h22-23,40,42,63-77,79-130,137-147,153,155-178H,8-21,24-39,41,43-57H2,1-7H3,(H,131,148)(H,132,149)(H,133,150)(H,134,151)(H,135,152)(H,136,154)/b23-22-,42-40+/t63-,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+,110+,111+,112+,113-,114-,115-,116-,117-,118+,119+,120-,121-,122-,123+,124+,125+,126-,127-,128-,129-,130-/m0/s1 Image of MNXM26237
SMILES (mnx)[CH3:1][CH2:8][CH2:10][CH2:12][CH2:14][CH2:16][CH2:18][CH2:20]/[CH:22]=[CH:23]\[CH2:24][CH2:25][CH2:26][CH2:27][CH2:28][CH2:29][CH2:31][CH2:33][CH2:35][CH2:37][CH2:39][CH2:41][CH2:43][C:78](=[N:136][C@@H:63]([CH2:55][O:179][C@H:123]1[C@H:102]([OH:173])[C@@H:99]([OH:170])[C@H:112]([O:199][C@H:128]2[C@H:103]([OH:174])[C@@H:113]([O:200][C@H:120]3[C@H:81]([N:133]=[C:60]([CH3:5])[OH:150])[C@@H:95]([OH:166])[C@H:110]([O:197][C@H:130]4[C@H:107]([OH:178])[C@@H:117]([O:202][C@H:122]5[C@H:83]([N:135]=[C:62]([CH3:7])[OH:152])[C@@H:96]([OH:167])[C@H:111]([O:198][C@H:129]6[C@H:106]([OH:177])[C@@H:116]([O:201][C@H:121]7[C@H:82]([N:134]=[C:61]([CH3:6])[OH:151])[C@@H:94]([OH:165])[C@H:109]([O:196][C@H:127]8[C@H:105]([OH:176])[C@@H:115]([O:204][C@@H:125]9[C@H:101]([OH:172])[C@@H:98]([OH:169])[C@@H:86]([OH:157])[C@@H:67]([CH2:46][OH:139])[O:184]9)[C@@H:89]([OH:160])[C@@H:70]([CH2:49][OH:142])[O:186]8)[C@@H:72]([CH2:51][OH:144])[O:190]7)[C@@H:90]([OH:161])[C@@H:76]([CH2:56][O:180][C@H:118]7[C@H:79]([N:131]=[C:58]([CH3:3])[OH:148])[C@@H:92]([OH:163])[C@H:84]([OH:155])[C@@H:65]([CH2:44][OH:137])[O:182]7)[O:193]6)[C@@H:74]([CH2:53][OH:146])[O:191]5)[C@@H:91]([OH:162])[C@@H:77]([CH2:57][O:181][C@H:119]5[C@H:80]([N:132]=[C:59]([CH3:4])[OH:149])[C@@H:93]([OH:164])[C@H:108]([O:195][C@H:126]6[C@H:104]([OH:175])[C@@H:114]([O:203][C@@H:124]7[C@H:100]([OH:171])[C@@H:97]([OH:168])[C@@H:85]([OH:156])[C@@H:66]([CH2:45][OH:138])[O:183]7)[C@@H:88]([OH:159])[C@@H:69]([CH2:48][OH:141])[O:185]6)[C@@H:71]([CH2:50][OH:143])[O:188]5)[O:194]4)[C@@H:73]([CH2:52][OH:145])[O:189]3)[C@@H:87]([OH:158])[C@@H:68]([CH2:47][OH:140])[O:187]2)[C@@H:75]([CH2:54][OH:147])[O:192]1)[C@@H:64](/[CH:42]=[CH:40]/[CH2:38][CH2:36][CH2:34][CH2:32][CH2:30][CH2:21][CH2:19][CH2:17][CH2:15][CH2:13][CH2:11][CH2:9][CH3:2])[OH:153])[OH:154]
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:MJDJPXZBXLAYPJ_SHDMCVCGSA_N
MJDJPXZBXLAYPJ-SHDMCVCGSA-N 		Galalpha1-3Galbeta1-4GlcNAcbeta1-3(GlcNAcbeta1-6)Galbeta1-4GlcNAcbeta1-3(Galalpha1-3Galbeta1-4GlcNAcbeta1-6)Galbeta1-4GlcNAcbeta1-3Galbeta1-4GlcCer (d18:1/15Z-24:1)

lipidmaps:LMSP0505BS07
lipidmapsM:LMSP0505BS07
MJDJPXZBXLAYPJ-SHDMCVCGSA-N 		Galalpha1-3Galbeta1-4GlcNAcbeta1-3(GlcNAcbeta1-6)Galbeta1-4GlcNAcbeta1-3(Galalpha1-3Galbeta1-4GlcNAcbeta1-6)Galbeta1-4GlcNAcbeta1-3Galbeta1-4Glcbeta-Cer(d18:1/24:1(15Z))
Hex(8)-HexNAc(5)-Cer 42:2
O2