| Properties | Image |
|---|
| MNX_ID | MNXM27025 |
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| reference | glycosphingo:JJBUMTSXUGXUAL_JOZDLZEQSA_N |
| formula | C64H120N2O18 |
| global charge | 0 |
| mol weight | 1205.66 |
| InChIKey | JJBUMTSXUGXUAL-JOZDLZEQSA-N |
| InChI | InChI=1S/C64H120N2O18/c1-4-6-8-10-12-14-16-18-19-20-21-22-23-24-25-26-27-29-31-33-35-37-39-41-52(72)66-47(48(71)40-38-36-34-32-30-28-17-15-13-11-9-7-5-2)45-79-63-58(77)57(76)60(51(44-69)82-63)83-64-59(78)61(55(74)50(43-68)81-64)84-62-53(65-46(3)70)56(75)54(73)49(42-67)80-62/h38,40,47-51,53-64,67-69,71,73-78H,4-37,39,41-45H2,1-3H3,(H,65,70)(H,66,72)/b40-38+/t47-,48+,49+,50+,51+,53+,54+,55-,56+,57+,58+,59+,60+,61-,62-,63+,64-/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](O)[C@H]3NC(C)=O)[C@H]2O)[C@H](O)[C@H]1O)NC(=O)CCCCCCCCCCCCCCCCCCCCCCCCC |
MNX internals
| InChI (mnx) | InChI=1/C64H120N2O18/c1-4-6-8-10-12-14-16-18-19-20-21-22-23-24-25-26-27-29-31-33-35-37-39-41-52(72)66-47(48(71)40-38-36-34-32-30-28-17-15-13-11-9-7-5-2)45-79-63-58(77)57(76)60(51(44-69)82-63)83-64-59(78)61(55(74)50(43-68)81-64)84-62-53(65-46(3)70)56(75)54(73)49(42-67)80-62/h38,40,47-51,53-64,67-69,71,73-78H,4-37,39,41-45H2,1-3H3,(H,65,70)(H,66,72)/b40-38+/t47-,48+,49+,50+,51+,53+,54+,55-,56+,57+,58+,59+,60+,61-,62-,63+,64-/m0/s1 |
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| SMILES (mnx) | [CH3:1][CH2:4][CH2:6][CH2:8][CH2:10][CH2:12][CH2:14][CH2:16][CH2:18][CH2:19][CH2:20][CH2:21][CH2:22][CH2:23][CH2:24][CH2:25][CH2:26][CH2:27][CH2:29][CH2:31][CH2:33][CH2:35][CH2:37][CH2:39][CH2:41][C:52](=[N:66][C@@H:47]([CH2:45][O:79][C@H:63]1[C@H:58]([OH:77])[C@@H:57]([OH:76])[C@H:60]([O:83][C@H:64]2[C@H:59]([OH:78])[C@@H:61]([O:84][C@H:62]3[C@H:53]([N:65]=[C:46]([CH3:3])[OH:70])[C@@H:56]([OH:75])[C@H:54]([OH:73])[C@@H:49]([CH2:42][OH:67])[O:80]3)[C@@H:55]([OH:74])[C@@H:50]([CH2:43][OH:68])[O:81]2)[C@@H:51]([CH2:44][OH:69])[O:82]1)[C@@H:48](/[CH:40]=[CH:38]/[CH2:36][CH2:34][CH2:32][CH2:30][CH2:28][CH2:17][CH2:15][CH2:13][CH2:11][CH2:9][CH2:7][CH2:5][CH3:2])[OH:71])[OH:72] |
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