| Properties | Image |
|---|
| MNX_ID | MNXM25419 |
 |
| reference | glycosphingo:YTOXXMBYPWLMEK_SPQHKRJOSA_N |
| formula | C76H139N3O28 |
| global charge | 0 |
| mol weight | 1542.941 |
| InChIKey | YTOXXMBYPWLMEK-SPQHKRJOSA-N |
| InChI | InChI=1S/C76H139N3O28/c1-5-7-9-11-13-15-17-19-20-21-22-23-24-25-26-28-30-32-34-36-38-40-56(88)79-49(50(87)39-37-35-33-31-29-27-18-16-14-12-10-8-6-2)46-98-74-65(95)63(93)69(54(44-83)102-74)105-75-66(96)64(94)68(55(45-84)103-75)104-73-58(78-48(4)86)70(60(90)52(42-81)100-73)106-76-67(97)71(61(91)53(43-82)101-76)107-72-57(77-47(3)85)62(92)59(89)51(41-80)99-72/h37,39,49-55,57-76,80-84,87,89-97H,5-36,38,40-46H2,1-4H3,(H,77,85)(H,78,86)(H,79,88)/b39-37+/t49-,50+,51+,52+,53+,54+,55+,57+,58+,59+,60-,61-,62+,63+,64+,65+,66+,67+,68-,69+,70+,71-,72-,73-,74+,75-,76-/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]5NC(C)=O)[C@H]4O)[C@H]3NC(C)=O)[C@H](O)[C@H]2O)[C@H](O)[C@H]1O)NC(=O)CCCCCCCCCCCCCCCCCCCCCCC |
MNX internals
| InChI (mnx) | InChI=1/C76H139N3O28/c1-5-7-9-11-13-15-17-19-20-21-22-23-24-25-26-28-30-32-34-36-38-40-56(88)79-49(50(87)39-37-35-33-31-29-27-18-16-14-12-10-8-6-2)46-98-74-65(95)63(93)69(54(44-83)102-74)105-75-66(96)64(94)68(55(45-84)103-75)104-73-58(78-48(4)86)70(60(90)52(42-81)100-73)106-76-67(97)71(61(91)53(43-82)101-76)107-72-57(77-47(3)85)62(92)59(89)51(41-80)99-72/h37,39,49-55,57-76,80-84,87,89-97H,5-36,38,40-46H2,1-4H3,(H,77,85)(H,78,86)(H,79,88)/b39-37+/t49-,50+,51+,52+,53+,54+,55+,57+,58+,59+,60-,61-,62+,63+,64+,65+,66+,67+,68-,69+,70+,71-,72-,73-,74+,75-,76-/m0/s1 |
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| SMILES (mnx) | [CH3:1][CH2:5][CH2:7][CH2:9][CH2:11][CH2:13][CH2:15][CH2:17][CH2:19][CH2:20][CH2:21][CH2:22][CH2:23][CH2:24][CH2:25][CH2:26][CH2:28][CH2:30][CH2:32][CH2:34][CH2:36][CH2:38][CH2:40][C:56](=[N:79][C@@H:49]([CH2:46][O:98][C@H:74]1[C@H:65]([OH:95])[C@@H:63]([OH:93])[C@H:69]([O:105][C@H:75]2[C@H:66]([OH:96])[C@@H:64]([OH:94])[C@@H:68]([O:104][C@H:73]3[C@H:58]([N:78]=[C:48]([CH3:4])[OH:86])[C@@H:70]([O:106][C@H:76]4[C@H:67]([OH:97])[C@@H:71]([O:107][C@H:72]5[C@H:57]([N:77]=[C:47]([CH3:3])[OH:85])[C@@H:62]([OH:92])[C@H:59]([OH:89])[C@@H:51]([CH2:41][OH:80])[O:99]5)[C@@H:61]([OH:91])[C@@H:53]([CH2:43][OH:82])[O:101]4)[C@@H:60]([OH:90])[C@@H:52]([CH2:42][OH:81])[O:100]3)[C@@H:55]([CH2:45][OH:84])[O:103]2)[C@@H:54]([CH2:44][OH:83])[O:102]1)[C@@H:50](/[CH:39]=[CH:37]/[CH2:35][CH2:33][CH2:31][CH2:29][CH2:27][CH2:18][CH2:16][CH2:14][CH2:12][CH2:10][CH2:8][CH2:6][CH3:2])[OH:87])[OH:88] |
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