| Properties | Image |
|---|
| MNX_ID | MNXM23729 |
 |
| reference | glycosphingo:UVENZBNURUZYPC_NJZBUBNESA_N |
| formula | C128H222N6O73 |
| global charge | 0 |
| mol weight | 3013.153 |
| InChIKey | UVENZBNURUZYPC-NJZBUBNESA-N |
| InChI | InChI=1S/C128H222N6O73/c1-8-10-12-14-16-18-20-22-24-26-28-30-32-34-57(152)56(134-72(153)35-33-31-29-27-25-23-21-19-17-15-13-11-9-2)48-180-120-98(174)94(170)109(69(47-146)194-120)202-126-99(175)110(81(157)61(39-138)188-126)203-117-75(131-53(5)149)89(165)107(67(45-144)191-117)200-127-103(179)114(84(160)70(195-127)49-181-115-73(129-51(3)147)86(162)104(64(42-141)189-115)197-121-95(171)91(167)78(154)58(36-135)183-121)205-119-77(133-55(7)151)90(166)108(68(46-145)193-119)201-128-102(178)113(204-118-76(132-54(6)150)88(164)106(66(44-143)192-118)199-125-101(177)112(83(159)63(41-140)187-125)207-123-97(173)93(169)80(156)60(38-137)185-123)85(161)71(196-128)50-182-116-74(130-52(4)148)87(163)105(65(43-142)190-116)198-124-100(176)111(82(158)62(40-139)186-124)206-122-96(172)92(168)79(155)59(37-136)184-122/h32,34,56-71,73-128,135-146,152,154-179H,8-31,33,35-50H2,1-7H3,(H,129,147)(H,130,148)(H,131,149)(H,132,150)(H,133,151)(H,134,153)/b34-32+/t56-,57+,58+,59+,60+,61+,62+,63+,64+,65+,66+,67+,68+,69+,70+,71+,73+,74+,75+,76+,77+,78-,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-/m0/s1 |
| SMILES | CCCCCCCCCCCCC/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]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]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)CCCCCCCCCCCCCCC |
MNX internals
| InChI (mnx) | InChI=1/C128H222N6O73/c1-8-10-12-14-16-18-20-22-24-26-28-30-32-34-57(152)56(134-72(153)35-33-31-29-27-25-23-21-19-17-15-13-11-9-2)48-180-120-98(174)94(170)109(69(47-146)194-120)202-126-99(175)110(81(157)61(39-138)188-126)203-117-75(131-53(5)149)89(165)107(67(45-144)191-117)200-127-103(179)114(84(160)70(195-127)49-181-115-73(129-51(3)147)86(162)104(64(42-141)189-115)197-121-95(171)91(167)78(154)58(36-135)183-121)205-119-77(133-55(7)151)90(166)108(68(46-145)193-119)201-128-102(178)113(204-118-76(132-54(6)150)88(164)106(66(44-143)192-118)199-125-101(177)112(83(159)63(41-140)187-125)207-123-97(173)93(169)80(156)60(38-137)185-123)85(161)71(196-128)50-182-116-74(130-52(4)148)87(163)105(65(43-142)190-116)198-124-100(176)111(82(158)62(40-139)186-124)206-122-96(172)92(168)79(155)59(37-136)184-122/h32,34,56-71,73-128,135-146,152,154-179H,8-31,33,35-50H2,1-7H3,(H,129,147)(H,130,148)(H,131,149)(H,132,150)(H,133,151)(H,134,153)/b34-32+/t56-,57+,58+,59+,60+,61+,62+,63+,64+,65+,66+,67+,68+,69+,70+,71+,73+,74+,75+,76+,77+,78-,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-/m0/s1 |
 |
| SMILES (mnx) | [CH3:1][CH2:8][CH2:10][CH2:12][CH2:14][CH2:16][CH2:18][CH2:20][CH2:22][CH2:24][CH2:26][CH2:28][CH2:30]/[CH:32]=[CH:34]/[C@H:57]([C@H:56]([CH2:48][O:180][C@H:120]1[C@H:98]([OH:174])[C@@H:94]([OH:170])[C@H:109]([O:202][C@H:126]2[C@H:99]([OH:175])[C@@H:110]([O:203][C@H:117]3[C@H:75]([N:131]=[C:53]([CH3:5])[OH:149])[C@@H:89]([OH:165])[C@H:107]([O:200][C@H:127]4[C@H:103]([OH:179])[C@@H:114]([O:205][C@H:119]5[C@H:77]([N:133]=[C:55]([CH3:7])[OH:151])[C@@H:90]([OH:166])[C@H:108]([O:201][C@H:128]6[C@H:102]([OH:178])[C@@H:113]([O:204][C@H:118]7[C@H:76]([N:132]=[C:54]([CH3:6])[OH:150])[C@@H:88]([OH:164])[C@H:106]([O:199][C@H:125]8[C@H:101]([OH:177])[C@@H:112]([O:207][C@@H:123]9[C@H:97]([OH:173])[C@@H:93]([OH:169])[C@@H:80]([OH:156])[C@@H:60]([CH2:38][OH:137])[O:185]9)[C@@H:83]([OH:159])[C@@H:63]([CH2:41][OH:140])[O:187]8)[C@@H:66]([CH2:44][OH:143])[O:192]7)[C@@H:85]([OH:161])[C@@H:71]([CH2:50][O:182][C@H:116]7[C@H:74]([N:130]=[C:52]([CH3:4])[OH:148])[C@@H:87]([OH:163])[C@H:105]([O:198][C@H:124]8[C@H:100]([OH:176])[C@@H:111]([O:206][C@@H:122]9[C@H:96]([OH:172])[C@@H:92]([OH:168])[C@@H:79]([OH:155])[C@@H:59]([CH2:37][OH:136])[O:184]9)[C@@H:82]([OH:158])[C@@H:62]([CH2:40][OH:139])[O:186]8)[C@@H:65]([CH2:43][OH:142])[O:190]7)[O:196]6)[C@@H:68]([CH2:46][OH:145])[O:193]5)[C@@H:84]([OH:160])[C@@H:70]([CH2:49][O:181][C@H:115]5[C@H:73]([N:129]=[C:51]([CH3:3])[OH:147])[C@@H:86]([OH:162])[C@H:104]([O:197][C@H:121]6[C@H:95]([OH:171])[C@@H:91]([OH:167])[C@@H:78]([OH:154])[C@@H:58]([CH2:36][OH:135])[O:183]6)[C@@H:64]([CH2:42][OH:141])[O:189]5)[O:195]4)[C@@H:67]([CH2:45][OH:144])[O:191]3)[C@@H:81]([OH:157])[C@@H:61]([CH2:39][OH:138])[O:188]2)[C@@H:69]([CH2:47][OH:146])[O:194]1)[N:134]=[C:72]([CH2:35][CH2:33][CH2:31][CH2:29][CH2:27][CH2:25][CH2:23][CH2:21][CH2:19][CH2:17][CH2:15][CH2:13][CH2:11][CH2:9][CH3:2])[OH:153])[OH:152] |
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