| Properties | Image |
|---|
| MNX_ID | MNXM1363384 |
 |
| reference | keggC:C23018 |
| formula | C43H64N7O18P3S |
| global charge | 0 |
| mol weight | 1092.005 |
| InChIKey | UCGYLLKGKGOQIG-WHXJPRLZSA-N |
| InChI | InChI=1S/C43H64N7O18P3S/c1-23(27-8-9-28-26-7-6-24-18-25(51)10-13-42(24,4)29(26)11-14-43(27,28)5)40(56)72-17-16-45-31(52)12-15-46-38(55)35(54)41(2,3)20-65-71(62,63)68-70(60,61)64-19-30-34(67-69(57,58)59)33(53)39(66-30)50-22-49-32-36(44)47-21-48-37(32)50/h18,21-22,26,28-30,33-35,39,53-54H,6-17,19-20H2,1-5H3,(H,45,52)(H,46,55)(H,60,61)(H,62,63)(H2,44,47,48)(H2,57,58,59)/b27-23+/t26-,28-,29-,30+,33+,34+,35-,39+,42-,43+/m0/s1 |
| SMILES | C/C(C(=O)SCCNC(=O)CCNC(=O)[C@H](O)C(C)(C)COP(=O)(O)OP(=O)(O)OC[C@H]1O[C@@H](n2cnc3c(N)ncnc32)[C@H](O)[C@@H]1OP(=O)(O)O)=C1/CC[C@H]2[C@@H]3CCC4=CC(=O)CC[C@]4(C)[C@H]3CC[C@]12C |
MNX internals
| InChI (mnx) | InChI=1/C43H64N7O18P3S/c1-23(27-8-9-28-26-7-6-24-18-25(51)10-13-42(24,4)29(26)11-14-43(27,28)5)40(56)72-17-16-45-31(52)12-15-46-38(55)35(54)41(2,3)20-65-71(62,63)68-70(60,61)64-19-30-34(67-69(57,58)59)33(53)39(66-30)50-22-49-32-36(44)47-21-48-37(32)50/h18,21-22,26,28-30,33-35,39,53-54H,6-17,19-20H2,1-5H3,(H,45,52)(H,46,55)(H,60,61)(H,62,63)(H2,44,47,48)(H2,57,58,59)/b27-23+/t26-,28-,29-,30+,33+,34+,35-,39+,42-,43+/m0/s1 |
 |
| SMILES (mnx) | [CH3:1]/[C:23](=[C:27]1/[CH2:8][CH2:9][C@H:28]2[C@@H:26]3[CH2:7][CH2:6][C:24]4=[CH:18][C:25](=[O:51])[CH2:10][CH2:13][C@:42]4([CH3:4])[C@H:29]3[CH2:11][CH2:14][C@:43]12[CH3:5])[C:40](=[O:56])[S:72][CH2:17][CH2:16][NH:45][C:31]([CH2:12][CH2:15][NH:46][C:38]([C@@H:35]([C:41]([CH3:2])([CH3:3])[CH2:20][O:65][P:71](=[O:62])([OH:63])[O:68][P:70]([OH:60])(=[O:61])[O:64][CH2:19][C@@H:30]1[C@@H:34]([O:67][P:69]([OH:57])([OH:58])=[O:59])[C@@H:33]([OH:53])[C@H:39]([n:50]2[cH:22][n:49][c:32]3[c:36]([NH2:44])[n:47][cH:21][n:48][c:37]32)[O:66]1)[OH:54])=[O:55])=[O:52] |
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