| Properties | Image |
|---|
| MNX_ID | MNXM26156 |
 |
| reference | glycosphingo:UCKXYWWMCTVDCA_SATMAWDESA_N |
| formula | C110H193N5O58 |
| global charge | 0 |
| mol weight | 2513.731 |
| InChIKey | UCKXYWWMCTVDCA-SATMAWDESA-N |
| InChI | InChI=1S/C110H193N5O58/c1-7-9-11-13-15-17-19-21-22-24-26-28-30-32-34-36-66(131)115-53(54(130)35-33-31-29-27-25-23-20-18-16-14-12-10-8-2)47-152-104-86(147)83(144)95(64(46-125)163-104)169-109-88(149)97(74(135)58(40-119)158-109)171-102-69(113-51(5)128)80(141)94(63(45-124)161-102)168-110-90(151)99(76(137)65(164-110)48-153-100-67(111-49(3)126)77(138)91(60(42-121)159-100)166-108-89(150)98(75(136)59(41-120)157-108)173-106-85(146)82(143)72(133)56(38-117)155-106)172-103-70(114-52(6)129)79(140)93(62(44-123)162-103)167-107-87(148)96(73(134)57(39-118)156-107)170-101-68(112-50(4)127)78(139)92(61(43-122)160-101)165-105-84(145)81(142)71(132)55(37-116)154-105/h33,35,53-65,67-110,116-125,130,132-151H,7-32,34,36-48H2,1-6H3,(H,111,126)(H,112,127)(H,113,128)(H,114,129)(H,115,131)/b35-33+/t53-,54+,55+,56+,57+,58+,59+,60+,61+,62+,63+,64+,65+,67+,68+,69+,70+,71-,72-,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-/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](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]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)CCCCCCCCCCCCCCCCC |
MNX internals
| InChI (mnx) | InChI=1/C110H193N5O58/c1-7-9-11-13-15-17-19-21-22-24-26-28-30-32-34-36-66(131)115-53(54(130)35-33-31-29-27-25-23-20-18-16-14-12-10-8-2)47-152-104-86(147)83(144)95(64(46-125)163-104)169-109-88(149)97(74(135)58(40-119)158-109)171-102-69(113-51(5)128)80(141)94(63(45-124)161-102)168-110-90(151)99(76(137)65(164-110)48-153-100-67(111-49(3)126)77(138)91(60(42-121)159-100)166-108-89(150)98(75(136)59(41-120)157-108)173-106-85(146)82(143)72(133)56(38-117)155-106)172-103-70(114-52(6)129)79(140)93(62(44-123)162-103)167-107-87(148)96(73(134)57(39-118)156-107)170-101-68(112-50(4)127)78(139)92(61(43-122)160-101)165-105-84(145)81(142)71(132)55(37-116)154-105/h33,35,53-65,67-110,116-125,130,132-151H,7-32,34,36-48H2,1-6H3,(H,111,126)(H,112,127)(H,113,128)(H,114,129)(H,115,131)/b35-33+/t53-,54+,55+,56+,57+,58+,59+,60+,61+,62+,63+,64+,65+,67+,68+,69+,70+,71-,72-,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-/m0/s1 |
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| SMILES (mnx) | [CH3:1][CH2:7][CH2:9][CH2:11][CH2:13][CH2:15][CH2:17][CH2:19][CH2:21][CH2:22][CH2:24][CH2:26][CH2:28][CH2:30][CH2:32][CH2:34][CH2:36][C:66](=[N:115][C@@H:53]([CH2:47][O:152][C@H:104]1[C@H:86]([OH:147])[C@@H:83]([OH:144])[C@H:95]([O:169][C@H:109]2[C@H:88]([OH:149])[C@@H:97]([O:171][C@H:102]3[C@H:69]([N:113]=[C:51]([CH3:5])[OH:128])[C@@H:80]([OH:141])[C@H:94]([O:168][C@H:110]4[C@H:90]([OH:151])[C@@H:99]([O:172][C@H:103]5[C@H:70]([N:114]=[C:52]([CH3:6])[OH:129])[C@@H:79]([OH:140])[C@H:93]([O:167][C@H:107]6[C@H:87]([OH:148])[C@@H:96]([O:170][C@H:101]7[C@H:68]([N:112]=[C:50]([CH3:4])[OH:127])[C@@H:78]([OH:139])[C@H:92]([O:165][C@H:105]8[C@H:84]([OH:145])[C@@H:81]([OH:142])[C@@H:71]([OH:132])[C@@H:55]([CH2:37][OH:116])[O:154]8)[C@@H:61]([CH2:43][OH:122])[O:160]7)[C@@H:73]([OH:134])[C@@H:57]([CH2:39][OH:118])[O:156]6)[C@@H:62]([CH2:44][OH:123])[O:162]5)[C@@H:76]([OH:137])[C@@H:65]([CH2:48][O:153][C@H:100]5[C@H:67]([N:111]=[C:49]([CH3:3])[OH:126])[C@@H:77]([OH:138])[C@H:91]([O:166][C@H:108]6[C@H:89]([OH:150])[C@@H:98]([O:173][C@@H:106]7[C@H:85]([OH:146])[C@@H:82]([OH:143])[C@@H:72]([OH:133])[C@@H:56]([CH2:38][OH:117])[O:155]7)[C@@H:75]([OH:136])[C@@H:59]([CH2:41][OH:120])[O:157]6)[C@@H:60]([CH2:42][OH:121])[O:159]5)[O:164]4)[C@@H:63]([CH2:45][OH:124])[O:161]3)[C@@H:74]([OH:135])[C@@H:58]([CH2:40][OH:119])[O:158]2)[C@@H:64]([CH2:46][OH:125])[O:163]1)[C@@H:54](/[CH:35]=[CH:33]/[CH2:31][CH2:29][CH2:27][CH2:25][CH2:23][CH2:20][CH2:18][CH2:16][CH2:14][CH2:12][CH2:10][CH2:8][CH3:2])[OH:130])[OH:131] |
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