| Properties | Image |
|---|
| MNX_ID | MNXM150503 |
 |
| reference | chebi:84096 |
| formula | C38H61N7O19P3S |
| global charge | -5 |
| mol weight | 1044.925 |
| InChIKey | XUKMCVIPGKHZGR-QGGHQSAPSA-I |
| InChI | InChI=1S/C38H66N7O19P3S/c1-4-5-6-7-8-9-10-11-12-13-14-15-16-25(36(50)51)37(52)68-20-19-40-27(46)17-18-41-34(49)31(48)38(2,3)22-61-67(58,59)64-66(56,57)60-21-26-30(63-65(53,54)55)29(47)35(62-26)45-24-44-28-32(39)42-23-43-33(28)45/h23-26,29-31,35,47-48H,4-22H2,1-3H3,(H,40,46)(H,41,49)(H,50,51)(H,56,57)(H,58,59)(H2,39,42,43)(H2,53,54,55)/p-5/t25?,26-,29-,30-,31+,35-/m1/s1 |
| SMILES | CCCCCCCCCCCCCCC(C(=O)[O-])C(=O)SCCNC(=O)CCNC(=O)[C@H](O)C(C)(C)COP(=O)([O-])OP(=O)([O-])OC[C@H]1O[C@@H](N2C=NC3=C2N=CN=C3N)[C@H](O)[C@@H]1OP(=O)([O-])[O-] |
MNX internals
| InChI (mnx) | InChI=1/C38H66N7O19P3S/c1-4-5-6-7-8-9-10-11-12-13-14-15-16-25(36(50)51)37(52)68-20-19-40-27(46)17-18-41-34(49)31(48)38(2,3)22-61-67(58,59)64-66(56,57)60-21-26-30(63-65(53,54)55)29(47)35(62-26)45-24-44-28-32(39)42-23-43-33(28)45/h23-26,29-31,35,47-48H,4-22H2,1-3H3,(H,40,46)(H,41,49)(H,50,51)(H,56,57)(H,58,59)(H2,39,42,43)(H2,53,54,55)/t25?,26-,29-,30-,31+,35-/m1/s1 |
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| SMILES (mnx) | [CH3:1][CH2:4][CH2:5][CH2:6][CH2:7][CH2:8][CH2:9][CH2:10][CH2:11][CH2:12][CH2:13][CH2:14][CH2:15][CH2:16][CH:25]([C:36](=[O:50])[OH:51])[C:37](=[O:52])[S:68][CH2:20][CH2:19][N:40]=[C:27]([CH2:17][CH2:18][N:41]=[C:34]([C@@H:31]([C:38]([CH3:2])([CH3:3])[CH2:22][O:61][P:67]([OH:58])(=[O:59])[O:64][P:66]([OH:56])(=[O:57])[O:60][CH2:21][C@@H:26]1[C@@H:30]([O:63][P:65]([OH:53])([OH:54])=[O:55])[C@@H:29]([OH:47])[C@H:35]([N:45]2[CH:24]=[N:44][C:28]3=[C:32]([NH2:39])[N:42]=[CH:23][N:43]=[C:33]32)[O:62]1)[OH:48])[OH:49])[OH:46] |
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