| Properties | Image |
|---|
| MNX_ID | MNXM1059635 |
 |
| reference | glycosphingo:GBYFAKXMDJQEND_AAFQZZHOSA_N |
| formula | C66H121NO23 |
| global charge | 0 |
| mol weight | 1296.678 |
| InChIKey | GBYFAKXMDJQEND-AAFQZZHOSA-N |
| InChI | InChI=1S/C66H121NO23/c1-3-5-7-9-11-13-15-17-18-19-20-21-22-23-24-26-28-30-32-34-36-38-50(73)67-44(45(72)37-35-33-31-29-27-25-16-14-12-10-8-6-4-2)43-83-63-57(80)54(77)60(48(41-70)86-63)88-65-58(81)55(78)61(49(42-71)87-65)89-66-59(82)62(52(75)47(40-69)85-66)90-64-56(79)53(76)51(74)46(39-68)84-64/h17-18,35,37,44-49,51-66,68-72,74-82H,3-16,19-34,36,38-43H2,1-2H3,(H,67,73)/b18-17-,37-35+/t44-,45+,46+,47+,48+,49+,51-,52-,53-,54+,55+,56+,57+,58+,59+,60+,61-,62-,63+,64+,65-,66+/m0/s1 |
| SMILES | CCCCCCCC/C=C\CCCCCCCCCCCCCC(=O)N[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]4O)[C@H]3O)[C@H](O)[C@H]2O)[C@H](O)[C@H]1O)[C@H](O)/C=C/CCCCCCCCCCCCC |
MNX internals
| InChI (mnx) | InChI=1/C66H121NO23/c1-3-5-7-9-11-13-15-17-18-19-20-21-22-23-24-26-28-30-32-34-36-38-50(73)67-44(45(72)37-35-33-31-29-27-25-16-14-12-10-8-6-4-2)43-83-63-57(80)54(77)60(48(41-70)86-63)88-65-58(81)55(78)61(49(42-71)87-65)89-66-59(82)62(52(75)47(40-69)85-66)90-64-56(79)53(76)51(74)46(39-68)84-64/h17-18,35,37,44-49,51-66,68-72,74-82H,3-16,19-34,36,38-43H2,1-2H3,(H,67,73)/b18-17-,37-35+/t44-,45+,46+,47+,48+,49+,51-,52-,53-,54+,55+,56+,57+,58+,59+,60+,61-,62-,63+,64+,65-,66+/m0/s1 |
 |
| SMILES (mnx) | [CH3:1][CH2:3][CH2:5][CH2:7][CH2:9][CH2:11][CH2:13][CH2:15]/[CH:17]=[CH:18]\[CH2:19][CH2:20][CH2:21][CH2:22][CH2:23][CH2:24][CH2:26][CH2:28][CH2:30][CH2:32][CH2:34][CH2:36][CH2:38][C:50](=[N:67][C@@H:44]([CH2:43][O:83][C@H:63]1[C@H:57]([OH:80])[C@@H:54]([OH:77])[C@H:60]([O:88][C@H:65]2[C@H:58]([OH:81])[C@@H:55]([OH:78])[C@@H:61]([O:89][C@@H:66]3[C@H:59]([OH:82])[C@@H:62]([O:90][C@@H:64]4[C@H:56]([OH:79])[C@@H:53]([OH:76])[C@@H:51]([OH:74])[C@@H:46]([CH2:39][OH:68])[O:84]4)[C@@H:52]([OH:75])[C@@H:47]([CH2:40][OH:69])[O:85]3)[C@@H:49]([CH2:42][OH:71])[O:87]2)[C@@H:48]([CH2:41][OH:70])[O:86]1)[C@@H:45](/[CH:37]=[CH:35]/[CH2:33][CH2:31][CH2:29][CH2:27][CH2:25][CH2:16][CH2:14][CH2:12][CH2:10][CH2:8][CH2:6][CH2:4][CH3:2])[OH:72])[OH:73] |
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