| Properties | Image |
|---|
| MNX_ID | MNXM25190 |
 |
| reference | glycosphingo:RNWSBWWXMPFQSJ_VJOWQYDXSA_N |
| formula | C90H160N2O48 |
| global charge | 0 |
| mol weight | 2038.236 |
| InChIKey | RNWSBWWXMPFQSJ-VJOWQYDXSA-N |
| InChI | InChI=1S/C90H160N2O48/c1-4-6-8-10-12-14-16-18-20-22-24-26-28-30-44(103)43(92-54(104)31-29-27-25-23-21-19-17-15-13-11-9-7-5-2)41-123-83-66(115)64(113)74(52(39-100)131-83)133-84-67(116)65(114)75(53(40-101)132-84)134-85-69(118)77(58(107)47(34-95)125-85)136-87-71(120)79(60(109)49(36-97)127-87)138-89-73(122)81(62(111)51(38-99)129-89)140-90-72(121)80(61(110)50(37-98)130-90)139-88-70(119)78(59(108)48(35-96)128-88)137-86-68(117)76(57(106)46(33-94)126-86)135-82-55(91-42(3)102)63(112)56(105)45(32-93)124-82/h28,30,43-53,55-90,93-101,103,105-122H,4-27,29,31-41H2,1-3H3,(H,91,102)(H,92,104)/b30-28+/t43-,44+,45+,46+,47+,48+,49+,50+,51+,52+,53+,55+,56-,57-,58-,59-,60-,61-,62-,63+,64+,65+,66+,67+,68+,69+,70+,71+,72+,73+,74+,75-,76-,77-,78-,79-,80-,81-,82-,83+,84-,85+,86+,87+,88+,89+,90+/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]3O[C@H](CO)[C@H](O)[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](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]8O[C@H](CO)[C@H](O)[C@H](O[C@@H]9O[C@H](CO)[C@H](O)[C@H](O)[C@H]9NC(C)=O)[C@H]8O)[C@H]7O)[C@H]6O)[C@H]5O)[C@H]4O)[C@H]3O)[C@H](O)[C@H]2O)[C@H](O)[C@H]1O)NC(=O)CCCCCCCCCCCCCCC |
MNX internals
| InChI (mnx) | InChI=1/C90H160N2O48/c1-4-6-8-10-12-14-16-18-20-22-24-26-28-30-44(103)43(92-54(104)31-29-27-25-23-21-19-17-15-13-11-9-7-5-2)41-123-83-66(115)64(113)74(52(39-100)131-83)133-84-67(116)65(114)75(53(40-101)132-84)134-85-69(118)77(58(107)47(34-95)125-85)136-87-71(120)79(60(109)49(36-97)127-87)138-89-73(122)81(62(111)51(38-99)129-89)140-90-72(121)80(61(110)50(37-98)130-90)139-88-70(119)78(59(108)48(35-96)128-88)137-86-68(117)76(57(106)46(33-94)126-86)135-82-55(91-42(3)102)63(112)56(105)45(32-93)124-82/h28,30,43-53,55-90,93-101,103,105-122H,4-27,29,31-41H2,1-3H3,(H,91,102)(H,92,104)/b30-28+/t43-,44+,45+,46+,47+,48+,49+,50+,51+,52+,53+,55+,56-,57-,58-,59-,60-,61-,62-,63+,64+,65+,66+,67+,68+,69+,70+,71+,72+,73+,74+,75-,76-,77-,78-,79-,80-,81-,82-,83+,84-,85+,86+,87+,88+,89+,90+/m0/s1 |
 |
| SMILES (mnx) | [CH3:1][CH2:4][CH2:6][CH2:8][CH2:10][CH2:12][CH2:14][CH2:16][CH2:18][CH2:20][CH2:22][CH2:24][CH2:26]/[CH:28]=[CH:30]/[C@H:44]([C@H:43]([CH2:41][O:123][C@H:83]1[C@H:66]([OH:115])[C@@H:64]([OH:113])[C@H:74]([O:133][C@H:84]2[C@H:67]([OH:116])[C@@H:65]([OH:114])[C@@H:75]([O:134][C@@H:85]3[C@H:69]([OH:118])[C@@H:77]([O:136][C@@H:87]4[C@H:71]([OH:120])[C@@H:79]([O:138][C@@H:89]5[C@H:73]([OH:122])[C@@H:81]([O:140][C@@H:90]6[C@H:72]([OH:121])[C@@H:80]([O:139][C@@H:88]7[C@H:70]([OH:119])[C@@H:78]([O:137][C@@H:86]8[C@H:68]([OH:117])[C@@H:76]([O:135][C@H:82]9[C@H:55]([N:91]=[C:42]([CH3:3])[OH:102])[C@@H:63]([OH:112])[C@@H:56]([OH:105])[C@@H:45]([CH2:32][OH:93])[O:124]9)[C@@H:57]([OH:106])[C@@H:46]([CH2:33][OH:94])[O:126]8)[C@@H:59]([OH:108])[C@@H:48]([CH2:35][OH:96])[O:128]7)[C@@H:61]([OH:110])[C@@H:50]([CH2:37][OH:98])[O:130]6)[C@@H:62]([OH:111])[C@@H:51]([CH2:38][OH:99])[O:129]5)[C@@H:60]([OH:109])[C@@H:49]([CH2:36][OH:97])[O:127]4)[C@@H:58]([OH:107])[C@@H:47]([CH2:34][OH:95])[O:125]3)[C@@H:53]([CH2:40][OH:101])[O:132]2)[C@@H:52]([CH2:39][OH:100])[O:131]1)[N:92]=[C:54]([CH2:31][CH2:29][CH2:27][CH2:25][CH2:23][CH2:21][CH2:19][CH2:17][CH2:15][CH2:13][CH2:11][CH2:9][CH2:7][CH2:5][CH3:2])[OH:104])[OH:103] |
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