| Properties | Image |
|---|
| MNX_ID | MNXM27057 |
 |
| reference | glycosphingo:ZFLCCQBSBDNUDM_FQUAXQQTSA_N |
| formula | C132H230N6O73 |
| global charge | 0 |
| mol weight | 3069.261 |
| InChIKey | ZFLCCQBSBDNUDM-FQUAXQQTSA-N |
| InChI | InChI=1S/C132H230N6O73/c1-8-10-12-14-16-18-20-22-23-24-25-27-29-31-33-35-37-39-76(157)138-60(61(156)38-36-34-32-30-28-26-21-19-17-15-13-11-9-2)52-184-124-102(178)98(174)113(73(51-150)198-124)206-130-103(179)114(85(161)65(43-142)192-130)207-121-79(135-57(5)153)93(169)111(71(49-148)195-121)204-131-107(183)118(89(165)75(200-131)54-186-120-78(134-56(4)152)91(167)109(69(47-146)194-120)202-128-104(180)115(86(162)66(44-143)190-128)210-126-100(176)96(172)83(159)63(41-140)188-126)209-123-81(137-59(7)155)94(170)112(72(50-149)197-123)205-132-106(182)117(88(164)74(199-132)53-185-119-77(133-55(3)151)90(166)108(68(46-145)193-119)201-125-99(175)95(171)82(158)62(40-139)187-125)208-122-80(136-58(6)154)92(168)110(70(48-147)196-122)203-129-105(181)116(87(163)67(45-144)191-129)211-127-101(177)97(173)84(160)64(42-141)189-127/h36,38,60-75,77-132,139-150,156,158-183H,8-35,37,39-54H2,1-7H3,(H,133,151)(H,134,152)(H,135,153)(H,136,154)(H,137,155)(H,138,157)/b38-36+/t60-,61+,62+,63+,64+,65+,66+,67+,68+,69+,70+,71+,72+,73+,74+,75+,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-,129-,130-,131-,132-/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]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)CCCCCCCCCCCCCCCCCCC |
MNX internals
| InChI (mnx) | InChI=1/C132H230N6O73/c1-8-10-12-14-16-18-20-22-23-24-25-27-29-31-33-35-37-39-76(157)138-60(61(156)38-36-34-32-30-28-26-21-19-17-15-13-11-9-2)52-184-124-102(178)98(174)113(73(51-150)198-124)206-130-103(179)114(85(161)65(43-142)192-130)207-121-79(135-57(5)153)93(169)111(71(49-148)195-121)204-131-107(183)118(89(165)75(200-131)54-186-120-78(134-56(4)152)91(167)109(69(47-146)194-120)202-128-104(180)115(86(162)66(44-143)190-128)210-126-100(176)96(172)83(159)63(41-140)188-126)209-123-81(137-59(7)155)94(170)112(72(50-149)197-123)205-132-106(182)117(88(164)74(199-132)53-185-119-77(133-55(3)151)90(166)108(68(46-145)193-119)201-125-99(175)95(171)82(158)62(40-139)187-125)208-122-80(136-58(6)154)92(168)110(70(48-147)196-122)203-129-105(181)116(87(163)67(45-144)191-129)211-127-101(177)97(173)84(160)64(42-141)189-127/h36,38,60-75,77-132,139-150,156,158-183H,8-35,37,39-54H2,1-7H3,(H,133,151)(H,134,152)(H,135,153)(H,136,154)(H,137,155)(H,138,157)/b38-36+/t60-,61+,62+,63+,64+,65+,66+,67+,68+,69+,70+,71+,72+,73+,74+,75+,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-,129-,130-,131-,132-/m0/s1 |
 |
| 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][CH2:27][CH2:29][CH2:31][CH2:33][CH2:35][CH2:37][CH2:39][C:76](=[N:138][C@@H:60]([CH2:52][O:184][C@H:124]1[C@H:102]([OH:178])[C@@H:98]([OH:174])[C@H:113]([O:206][C@H:130]2[C@H:103]([OH:179])[C@@H:114]([O:207][C@H:121]3[C@H:79]([N:135]=[C:57]([CH3:5])[OH:153])[C@@H:93]([OH:169])[C@H:111]([O:204][C@H:131]4[C@H:107]([OH:183])[C@@H:118]([O:209][C@H:123]5[C@H:81]([N:137]=[C:59]([CH3:7])[OH:155])[C@@H:94]([OH:170])[C@H:112]([O:205][C@H:132]6[C@H:106]([OH:182])[C@@H:117]([O:208][C@H:122]7[C@H:80]([N:136]=[C:58]([CH3:6])[OH:154])[C@@H:92]([OH:168])[C@H:110]([O:203][C@H:129]8[C@H:105]([OH:181])[C@@H:116]([O:211][C@@H:127]9[C@H:101]([OH:177])[C@@H:97]([OH:173])[C@@H:84]([OH:160])[C@@H:64]([CH2:42][OH:141])[O:189]9)[C@@H:87]([OH:163])[C@@H:67]([CH2:45][OH:144])[O:191]8)[C@@H:70]([CH2:48][OH:147])[O:196]7)[C@@H:88]([OH:164])[C@@H:74]([CH2:53][O:185][C@H:119]7[C@H:77]([N:133]=[C:55]([CH3:3])[OH:151])[C@@H:90]([OH:166])[C@H:108]([O:201][C@H:125]8[C@H:99]([OH:175])[C@@H:95]([OH:171])[C@@H:82]([OH:158])[C@@H:62]([CH2:40][OH:139])[O:187]8)[C@@H:68]([CH2:46][OH:145])[O:193]7)[O:199]6)[C@@H:72]([CH2:50][OH:149])[O:197]5)[C@@H:89]([OH:165])[C@@H:75]([CH2:54][O:186][C@H:120]5[C@H:78]([N:134]=[C:56]([CH3:4])[OH:152])[C@@H:91]([OH:167])[C@H:109]([O:202][C@H:128]6[C@H:104]([OH:180])[C@@H:115]([O:210][C@@H:126]7[C@H:100]([OH:176])[C@@H:96]([OH:172])[C@@H:83]([OH:159])[C@@H:63]([CH2:41][OH:140])[O:188]7)[C@@H:86]([OH:162])[C@@H:66]([CH2:44][OH:143])[O:190]6)[C@@H:69]([CH2:47][OH:146])[O:194]5)[O:200]4)[C@@H:71]([CH2:49][OH:148])[O:195]3)[C@@H:85]([OH:161])[C@@H:65]([CH2:43][OH:142])[O:192]2)[C@@H:73]([CH2:51][OH:150])[O:198]1)[C@@H:61](/[CH:38]=[CH:36]/[CH2:34][CH2:32][CH2:30][CH2:28][CH2:26][CH2:21][CH2:19][CH2:17][CH2:15][CH2:13][CH2:11][CH2:9][CH3:2])[OH:156])[OH:157] |
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