| Properties | Image |
|---|
| MNX_ID | MNXM24226 |
 |
| reference | glycosphingo:POFKYNLXKRDKJC_QPQFWLPPSA_N |
| formula | C80H144N4O33 |
| global charge | 0 |
| mol weight | 1690.027 |
| InChIKey | POFKYNLXKRDKJC-QPQFWLPPSA-N |
| InChI | InChI=1S/C80H144N4O33/c1-6-8-10-12-14-16-18-20-21-22-23-25-27-29-31-33-35-37-56(95)84-48(49(94)36-34-32-30-28-26-24-19-17-15-13-11-9-7-2)44-106-78-67(103)65(101)70(53(41-88)110-78)113-79-68(104)66(102)71(54(42-89)111-79)114-80-69(105)74(72(55(43-90)112-80)115-75-57(81-45(3)91)63(99)60(96)50(38-85)107-75)117-77-59(83-47(5)93)73(62(98)52(40-87)109-77)116-76-58(82-46(4)92)64(100)61(97)51(39-86)108-76/h34,36,48-55,57-80,85-90,94,96-105H,6-33,35,37-44H2,1-5H3,(H,81,91)(H,82,92)(H,83,93)(H,84,95)/b36-34+/t48-,49+,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+,77-,78+,79-,80+/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]4O[C@H](CO)[C@H](O)[C@H](O)[C@H]4NC(C)=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]4NC(C)=O)[C@H]3O)[C@H](O)[C@H]2O)[C@H](O)[C@H]1O)NC(=O)CCCCCCCCCCCCCCCCCCC |
MNX internals
| InChI (mnx) | InChI=1/C80H144N4O33/c1-6-8-10-12-14-16-18-20-21-22-23-25-27-29-31-33-35-37-56(95)84-48(49(94)36-34-32-30-28-26-24-19-17-15-13-11-9-7-2)44-106-78-67(103)65(101)70(53(41-88)110-78)113-79-68(104)66(102)71(54(42-89)111-79)114-80-69(105)74(72(55(43-90)112-80)115-75-57(81-45(3)91)63(99)60(96)50(38-85)107-75)117-77-59(83-47(5)93)73(62(98)52(40-87)109-77)116-76-58(82-46(4)92)64(100)61(97)51(39-86)108-76/h34,36,48-55,57-80,85-90,94,96-105H,6-33,35,37-44H2,1-5H3,(H,81,91)(H,82,92)(H,83,93)(H,84,95)/b36-34+/t48-,49+,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+,77-,78+,79-,80+/m0/s1 |
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| SMILES (mnx) | [CH3:1][CH2:6][CH2:8][CH2:10][CH2:12][CH2:14][CH2:16][CH2:18][CH2:20][CH2:21][CH2:22][CH2:23][CH2:25][CH2:27][CH2:29][CH2:31][CH2:33][CH2:35][CH2:37][C:56](=[N:84][C@@H:48]([CH2:44][O:106][C@H:78]1[C@H:67]([OH:103])[C@@H:65]([OH:101])[C@H:70]([O:113][C@H:79]2[C@H:68]([OH:104])[C@@H:66]([OH:102])[C@@H:71]([O:114][C@@H:80]3[C@H:69]([OH:105])[C@@H:74]([O:117][C@H:77]4[C@H:59]([N:83]=[C:47]([CH3:5])[OH:93])[C@@H:73]([O:116][C@@H:76]5[C@H:58]([N:82]=[C:46]([CH3:4])[OH:92])[C@@H:64]([OH:100])[C@@H:61]([OH:97])[C@@H:51]([CH2:39][OH:86])[O:108]5)[C@@H:62]([OH:98])[C@@H:52]([CH2:40][OH:87])[O:109]4)[C@@H:72]([O:115][C@H:75]4[C@H:57]([N:81]=[C:45]([CH3:3])[OH:91])[C@@H:63]([OH:99])[C@@H:60]([OH:96])[C@@H:50]([CH2:38][OH:85])[O:107]4)[C@@H:55]([CH2:43][OH:90])[O:112]3)[C@@H:54]([CH2:42][OH:89])[O:111]2)[C@@H:53]([CH2:41][OH:88])[O:110]1)[C@@H:49](/[CH:36]=[CH:34]/[CH2:32][CH2:30][CH2:28][CH2:26][CH2:24][CH2:19][CH2:17][CH2:15][CH2:13][CH2:11][CH2:9][CH2:7][CH3:2])[OH:94])[OH:95] |
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