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NeuAcalpha2-3Galbeta1-4GlcNAcbeta1-3Galbeta1-4(Fucalpha1-3)GlcNAcbeta1-3Galbeta1-4GlcNAcbeta1-3Galbeta1-4GlcNAcbeta1-3Galbeta1-4Glcbeta-Cer(d18:1/26:1(17Z))

PropertiesImage
MNX_IDMNXM23401 Image of MNXM23401
referencelipidmapsM:LMSP0601FL08
formulaC129H224N6O65
global charge0
mol weight2899.188
InChIKeyZYZKWWHDHBLRHZ-RPOHYVCHSA-N
InChIInChI=1S/C129H224N6O65/c1-9-11-13-15-17-19-21-23-24-25-26-27-28-29-30-31-32-34-36-38-40-42-44-46-80(155)135-66(67(152)45-43-41-39-37-35-33-22-20-18-16-14-12-10-2)59-177-121-99(169)97(167)108(78(57-145)188-121)192-125-101(171)113(89(159)71(50-138)181-125)196-118-83(132-63(6)149)93(163)105(75(54-142)185-118)189-123-100(170)112(88(158)70(49-137)179-123)195-117-82(131-62(5)148)94(164)106(76(55-143)184-117)190-124-102(172)115(91(161)72(51-139)180-124)198-120-85(134-65(8)151)111(194-122-98(168)96(166)86(156)60(3)178-122)109(79(58-146)187-120)193-126-103(173)114(90(160)73(52-140)182-126)197-119-84(133-64(7)150)95(165)107(77(56-144)186-119)191-127-104(174)116(92(162)74(53-141)183-127)200-129(128(175)176)47-68(153)81(130-61(4)147)110(199-129)87(157)69(154)48-136/h23-24,43,45,60,66-79,81-127,136-146,152-154,156-174H,9-22,25-42,44,46-59H2,1-8H3,(H,130,147)(H,131,148)(H,132,149)(H,133,150)(H,134,151)(H,135,155)(H,175,176)/b24-23-,45-43+/t60-,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+,129+/m1/s1
SMILESCCCCCCCC/C=C\CCCCCCCCCCCCCCCC(=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](O)[C@H](O[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]8O[C@H](CO)[C@H](O)[C@H](O[C@@H]9O[C@H](CO)[C@@H](O[C@@H]%10O[C@H](CO)[C@H](O)[C@H](O[C@]%11(C(=O)O)C[C@H](O)[C@@H](NC(C)=O)[C@H]([C@H](O)[C@H](O)CO)O%11)[C@H]%10O)[C@H](O)[C@H]9NC(C)=O)[C@H]8O)[C@H](O[C@H]8O[C@H](C)[C@@H](O)[C@@H](O)[C@@H]8O)[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/C129H224N6O65/c1-9-11-13-15-17-19-21-23-24-25-26-27-28-29-30-31-32-34-36-38-40-42-44-46-80(155)135-66(67(152)45-43-41-39-37-35-33-22-20-18-16-14-12-10-2)59-177-121-99(169)97(167)108(78(57-145)188-121)192-125-101(171)113(89(159)71(50-138)181-125)196-118-83(132-63(6)149)93(163)105(75(54-142)185-118)189-123-100(170)112(88(158)70(49-137)179-123)195-117-82(131-62(5)148)94(164)106(76(55-143)184-117)190-124-102(172)115(91(161)72(51-139)180-124)198-120-85(134-65(8)151)111(194-122-98(168)96(166)86(156)60(3)178-122)109(79(58-146)187-120)193-126-103(173)114(90(160)73(52-140)182-126)197-119-84(133-64(7)150)95(165)107(77(56-144)186-119)191-127-104(174)116(92(162)74(53-141)183-127)200-129(128(175)176)47-68(153)81(130-61(4)147)110(199-129)87(157)69(154)48-136/h23-24,43,45,60,66-79,81-127,136-146,152-154,156-174H,9-22,25-42,44,46-59H2,1-8H3,(H,130,147)(H,131,148)(H,132,149)(H,133,150)(H,134,151)(H,135,155)(H,175,176)/b24-23-,45-43+/t60-,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+,129+/m1/s1 Image of MNXM23401
SMILES (mnx)[CH3:1][CH2:9][CH2:11][CH2:13][CH2:15][CH2:17][CH2:19][CH2:21]/[CH:23]=[CH:24]\[CH2:25][CH2:26][CH2:27][CH2:28][CH2:29][CH2:30][CH2:31][CH2:32][CH2:34][CH2:36][CH2:38][CH2:40][CH2:42][CH2:44][CH2:46][C:80](=[N:135][C@@H:66]([CH2:59][O:177][C@H:121]1[C@H:99]([OH:169])[C@@H:97]([OH:167])[C@H:108]([O:192][C@H:125]2[C@H:101]([OH:171])[C@@H:113]([O:196][C@H:118]3[C@H:83]([N:132]=[C:63]([CH3:6])[OH:149])[C@@H:93]([OH:163])[C@H:105]([O:189][C@H:123]4[C@H:100]([OH:170])[C@@H:112]([O:195][C@H:117]5[C@H:82]([N:131]=[C:62]([CH3:5])[OH:148])[C@@H:94]([OH:164])[C@H:106]([O:190][C@H:124]6[C@H:102]([OH:172])[C@@H:115]([O:198][C@H:120]7[C@H:85]([N:134]=[C:65]([CH3:8])[OH:151])[C@@H:111]([O:194][C@@H:122]8[C@@H:98]([OH:168])[C@H:96]([OH:166])[C@H:86]([OH:156])[C@@H:60]([CH3:3])[O:178]8)[C@H:109]([O:193][C@H:126]8[C@H:103]([OH:173])[C@@H:114]([O:197][C@H:119]9[C@H:84]([N:133]=[C:64]([CH3:7])[OH:150])[C@@H:95]([OH:165])[C@H:107]([O:191][C@H:127]%10[C@H:104]([OH:174])[C@@H:116]([O:200][C@:129]%11([C:128](=[O:175])[OH:176])[CH2:47][C@H:68]([OH:153])[C@@H:81]([N:130]=[C:61]([CH3:4])[OH:147])[C@H:110]([C@@H:87]([C@@H:69]([CH2:48][OH:136])[OH:154])[OH:157])[O:199]%11)[C@@H:92]([OH:162])[C@@H:74]([CH2:53][OH:141])[O:183]%10)[C@@H:77]([CH2:56][OH:144])[O:186]9)[C@@H:90]([OH:160])[C@@H:73]([CH2:52][OH:140])[O:182]8)[C@@H:79]([CH2:58][OH:146])[O:187]7)[C@@H:91]([OH:161])[C@@H:72]([CH2:51][OH:139])[O:180]6)[C@@H:76]([CH2:55][OH:143])[O:184]5)[C@@H:88]([OH:158])[C@@H:70]([CH2:49][OH:137])[O:179]4)[C@@H:75]([CH2:54][OH:142])[O:185]3)[C@@H:89]([OH:159])[C@@H:71]([CH2:50][OH:138])[O:181]2)[C@@H:78]([CH2:57][OH:145])[O:188]1)[C@@H:67](/[CH:45]=[CH:43]/[CH2:41][CH2:39][CH2:37][CH2:35][CH2:33][CH2:22][CH2:20][CH2:18][CH2:16][CH2:14][CH2:12][CH2:10][CH3:2])[OH:152])[OH:155]
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:LMSP0601FL08
lipidmapsM:LMSP0601FL08
ZYZKWWHDHBLRHZ-RPOHYVCHSA-N 		NeuAcalpha2-3Galbeta1-4GlcNAcbeta1-3Galbeta1-4(Fucalpha1-3)GlcNAcbeta1-3Galbeta1-4GlcNAcbeta1-3Galbeta1-4GlcNAcbeta1-3Galbeta1-4Glcbeta-Cer(d18:1/26:1(17Z))
Hex(6)-HexNAc(4)-Fuc-NeuAc-Cer 44:2
O2