| Properties | Image |
|---|
| MNX_ID | MNXM25408 |
 |
| reference | glycosphingo:CTSXCHFFPRHAPR_BLPNBESESA_N |
| formula | C68H127NO23 |
| global charge | 0 |
| mol weight | 1326.748 |
| InChIKey | CTSXCHFFPRHAPR-BLPNBESESA-N |
| InChI | InChI=1S/C68H127NO23/c1-3-5-7-9-11-13-15-17-18-19-20-21-22-23-24-25-26-28-30-32-34-36-38-40-52(75)69-46(47(74)39-37-35-33-31-29-27-16-14-12-10-8-6-4-2)45-85-65-59(82)56(79)62(50(43-72)88-65)90-67-60(83)57(80)63(51(44-73)89-67)91-68-61(84)64(54(77)49(42-71)87-68)92-66-58(81)55(78)53(76)48(41-70)86-66/h37,39,46-51,53-68,70-74,76-84H,3-36,38,40-45H2,1-2H3,(H,69,75)/b39-37+/t46-,47+,48+,49+,50+,51+,53-,54-,55-,56+,57+,58+,59+,60+,61+,62+,63-,64-,65+,66-,67-,68+/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]4O)[C@H]3O)[C@H](O)[C@H]2O)[C@H](O)[C@H]1O)NC(=O)CCCCCCCCCCCCCCCCCCCCCCCCC |
MNX internals
| InChI (mnx) | InChI=1/C68H127NO23/c1-3-5-7-9-11-13-15-17-18-19-20-21-22-23-24-25-26-28-30-32-34-36-38-40-52(75)69-46(47(74)39-37-35-33-31-29-27-16-14-12-10-8-6-4-2)45-85-65-59(82)56(79)62(50(43-72)88-65)90-67-60(83)57(80)63(51(44-73)89-67)91-68-61(84)64(54(77)49(42-71)87-68)92-66-58(81)55(78)53(76)48(41-70)86-66/h37,39,46-51,53-68,70-74,76-84H,3-36,38,40-45H2,1-2H3,(H,69,75)/b39-37+/t46-,47+,48+,49+,50+,51+,53-,54-,55-,56+,57+,58+,59+,60+,61+,62+,63-,64-,65+,66-,67-,68+/m0/s1 |
 |
| SMILES (mnx) | [CH3:1][CH2:3][CH2:5][CH2:7][CH2:9][CH2:11][CH2:13][CH2:15][CH2:17][CH2:18][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:52](=[N:69][C@@H:46]([CH2:45][O:85][C@H:65]1[C@H:59]([OH:82])[C@@H:56]([OH:79])[C@H:62]([O:90][C@H:67]2[C@H:60]([OH:83])[C@@H:57]([OH:80])[C@@H:63]([O:91][C@@H:68]3[C@H:61]([OH:84])[C@@H:64]([O:92][C@H:66]4[C@H:58]([OH:81])[C@@H:55]([OH:78])[C@@H:53]([OH:76])[C@@H:48]([CH2:41][OH:70])[O:86]4)[C@@H:54]([OH:77])[C@@H:49]([CH2:42][OH:71])[O:87]3)[C@@H:51]([CH2:44][OH:73])[O:89]2)[C@@H:50]([CH2:43][OH:72])[O:88]1)[C@@H:47](/[CH:39]=[CH:37]/[CH2:35][CH2:33][CH2:31][CH2:29][CH2:27][CH2:16][CH2:14][CH2:12][CH2:10][CH2:8][CH2:6][CH2:4][CH3:2])[OH:74])[OH:75] |
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