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Galalpha1-3Galbeta1-4GlcNAcbeta1-3(Galbeta1-4GlcNAcbeta1-6)Galbeta1-4GlcNAcbeta1-3(Galalpha1-3Galbeta1-4GlcNAcbeta1-6)Galbeta1-4GlcNAcbeta1-3Galbeta1-4Glcbeta-Cer(d18:1/22:0)

PropertiesImage
MNX_IDMNXM29531 Image of MNXM29531
referencelipidmapsM:LMSP0505BT04
formulaC134H234N6O73
global charge0
mol weight3097.315
InChIKeyRFHAKIZMXIPAFN-QOXFUCMNSA-N
InChIInChI=1S/C134H234N6O73/c1-8-10-12-14-16-18-20-22-23-24-25-26-27-29-31-33-35-37-39-41-78(159)140-62(63(158)40-38-36-34-32-30-28-21-19-17-15-13-11-9-2)54-186-126-104(180)100(176)115(75(53-152)200-126)208-132-105(181)116(87(163)67(45-144)194-132)209-123-81(137-59(5)155)95(171)113(73(51-150)197-123)206-133-109(185)120(91(167)77(202-133)56-188-122-80(136-58(4)154)93(169)111(71(49-148)196-122)204-130-106(182)117(88(164)68(46-145)192-130)212-128-102(178)98(174)85(161)65(43-142)190-128)211-125-83(139-61(7)157)96(172)114(74(52-151)199-125)207-134-108(184)119(90(166)76(201-134)55-187-121-79(135-57(3)153)92(168)110(70(48-147)195-121)203-127-101(177)97(173)84(160)64(42-141)189-127)210-124-82(138-60(6)156)94(170)112(72(50-149)198-124)205-131-107(183)118(89(165)69(47-146)193-131)213-129-103(179)99(175)86(162)66(44-143)191-129/h38,40,62-77,79-134,141-152,158,160-185H,8-37,39,41-56H2,1-7H3,(H,135,153)(H,136,154)(H,137,155)(H,138,156)(H,139,157)(H,140,159)/b40-38+/t62-,63+,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-,131-,132-,133-,134-/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]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]8O[C@H](CO)[C@H](O)[C@H](O)[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)CCCCCCCCCCCCCCCCCCCCC
MNX internals
InChI (mnx)InChI=1/C134H234N6O73/c1-8-10-12-14-16-18-20-22-23-24-25-26-27-29-31-33-35-37-39-41-78(159)140-62(63(158)40-38-36-34-32-30-28-21-19-17-15-13-11-9-2)54-186-126-104(180)100(176)115(75(53-152)200-126)208-132-105(181)116(87(163)67(45-144)194-132)209-123-81(137-59(5)155)95(171)113(73(51-150)197-123)206-133-109(185)120(91(167)77(202-133)56-188-122-80(136-58(4)154)93(169)111(71(49-148)196-122)204-130-106(182)117(88(164)68(46-145)192-130)212-128-102(178)98(174)85(161)65(43-142)190-128)211-125-83(139-61(7)157)96(172)114(74(52-151)199-125)207-134-108(184)119(90(166)76(201-134)55-187-121-79(135-57(3)153)92(168)110(70(48-147)195-121)203-127-101(177)97(173)84(160)64(42-141)189-127)210-124-82(138-60(6)156)94(170)112(72(50-149)198-124)205-131-107(183)118(89(165)69(47-146)193-131)213-129-103(179)99(175)86(162)66(44-143)191-129/h38,40,62-77,79-134,141-152,158,160-185H,8-37,39,41-56H2,1-7H3,(H,135,153)(H,136,154)(H,137,155)(H,138,156)(H,139,157)(H,140,159)/b40-38+/t62-,63+,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-,131-,132-,133-,134-/m0/s1 Image of MNXM29531
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][CH2:29][CH2:31][CH2:33][CH2:35][CH2:37][CH2:39][CH2:41][C:78](=[N:140][C@@H:62]([CH2:54][O:186][C@H:126]1[C@H:104]([OH:180])[C@@H:100]([OH:176])[C@H:115]([O:208][C@H:132]2[C@H:105]([OH:181])[C@@H:116]([O:209][C@H:123]3[C@H:81]([N:137]=[C:59]([CH3:5])[OH:155])[C@@H:95]([OH:171])[C@H:113]([O:206][C@H:133]4[C@H:109]([OH:185])[C@@H:120]([O:211][C@H:125]5[C@H:83]([N:139]=[C:61]([CH3:7])[OH:157])[C@@H:96]([OH:172])[C@H:114]([O:207][C@H:134]6[C@H:108]([OH:184])[C@@H:119]([O:210][C@H:124]7[C@H:82]([N:138]=[C:60]([CH3:6])[OH:156])[C@@H:94]([OH:170])[C@H:112]([O:205][C@H:131]8[C@H:107]([OH:183])[C@@H:118]([O:213][C@@H:129]9[C@H:103]([OH:179])[C@@H:99]([OH:175])[C@@H:86]([OH:162])[C@@H:66]([CH2:44][OH:143])[O:191]9)[C@@H:89]([OH:165])[C@@H:69]([CH2:47][OH:146])[O:193]8)[C@@H:72]([CH2:50][OH:149])[O:198]7)[C@@H:90]([OH:166])[C@@H:76]([CH2:55][O:187][C@H:121]7[C@H:79]([N:135]=[C:57]([CH3:3])[OH:153])[C@@H:92]([OH:168])[C@H:110]([O:203][C@H:127]8[C@H:101]([OH:177])[C@@H:97]([OH:173])[C@@H:84]([OH:160])[C@@H:64]([CH2:42][OH:141])[O:189]8)[C@@H:70]([CH2:48][OH:147])[O:195]7)[O:201]6)[C@@H:74]([CH2:52][OH:151])[O:199]5)[C@@H:91]([OH:167])[C@@H:77]([CH2:56][O:188][C@H:122]5[C@H:80]([N:136]=[C:58]([CH3:4])[OH:154])[C@@H:93]([OH:169])[C@H:111]([O:204][C@H:130]6[C@H:106]([OH:182])[C@@H:117]([O:212][C@@H:128]7[C@H:102]([OH:178])[C@@H:98]([OH:174])[C@@H:85]([OH:161])[C@@H:65]([CH2:43][OH:142])[O:190]7)[C@@H:88]([OH:164])[C@@H:68]([CH2:46][OH:145])[O:192]6)[C@@H:71]([CH2:49][OH:148])[O:196]5)[O:202]4)[C@@H:73]([CH2:51][OH:150])[O:197]3)[C@@H:87]([OH:163])[C@@H:67]([CH2:45][OH:144])[O:194]2)[C@@H:75]([CH2:53][OH:152])[O:200]1)[C@@H:63](/[CH:40]=[CH:38]/[CH2:36][CH2:34][CH2:32][CH2:30][CH2:28][CH2:21][CH2:19][CH2:17][CH2:15][CH2:13][CH2:11][CH2:9][CH3:2])[OH:158])[OH:159]
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

lipidmaps:LMSP0505BT04
lipidmapsM:LMSP0505BT04
RFHAKIZMXIPAFN-QOXFUCMNSA-N 		Galalpha1-3Galbeta1-4GlcNAcbeta1-3(Galbeta1-4GlcNAcbeta1-6)Galbeta1-4GlcNAcbeta1-3(Galalpha1-3Galbeta1-4GlcNAcbeta1-6)Galbeta1-4GlcNAcbeta1-3Galbeta1-4Glcbeta-Cer(d18:1/22:0)
Hex(9)-HexNAc(5)-Cer 40:1
O2