| Properties | Image |
|---|
| MNX_ID | MNXM1587082 |
 |
| reference | keggC:C23019 |
| formula | C43H66N7O19P3S |
| global charge | 0 |
| mol weight | 1110.02 |
| InChIKey | UDFHRLPTSACVPG-ZRXZWEGBSA-N |
| InChI | InChI=1S/C43H66N7O19P3S/c1-23(43(57)14-10-28-26-7-6-24-18-25(51)8-12-41(24,4)27(26)9-13-42(28,43)5)39(56)73-17-16-45-30(52)11-15-46-37(55)34(54)40(2,3)20-66-72(63,64)69-71(61,62)65-19-29-33(68-70(58,59)60)32(53)38(67-29)50-22-49-31-35(44)47-21-48-36(31)50/h18,21-23,26-29,32-34,38,53-54,57H,6-17,19-20H2,1-5H3,(H,45,52)(H,46,55)(H,61,62)(H,63,64)(H2,44,47,48)(H2,58,59,60)/t23?,26-,27+,28+,29-,32-,33-,34+,38-,41+,42+,43?/m1/s1 |
| SMILES | CC(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(O)CC[C@H]2[C@@H]3CCC4=CC(=O)CC[C@]4(C)[C@H]3CC[C@@]21C |
MNX internals
| InChI (mnx) | InChI=1/C43H66N7O19P3S/c1-23(43(57)14-10-28-26-7-6-24-18-25(51)8-12-41(24,4)27(26)9-13-42(28,43)5)39(56)73-17-16-45-30(52)11-15-46-37(55)34(54)40(2,3)20-66-72(63,64)69-71(61,62)65-19-29-33(68-70(58,59)60)32(53)38(67-29)50-22-49-31-35(44)47-21-48-36(31)50/h18,21-23,26-29,32-34,38,53-54,57H,6-17,19-20H2,1-5H3,(H,45,52)(H,46,55)(H,61,62)(H,63,64)(H2,44,47,48)(H2,58,59,60)/t23?,26-,27+,28+,29-,32-,33-,34+,38-,41+,42+,43?/m1/s1 |
 |
| SMILES (mnx) | [CH3:1][CH:23]([C:39](=[O:56])[S:73][CH2:17][CH2:16][NH:45][C:30]([CH2:11][CH2:15][NH:46][C:37]([C@@H:34]([C:40]([CH3:2])([CH3:3])[CH2:20][O:66][P:72](=[O:63])([OH:64])[O:69][P:71]([OH:61])(=[O:62])[O:65][CH2:19][C@@H:29]1[C@@H:33]([O:68][P:70]([OH:58])([OH:59])=[O:60])[C@@H:32]([OH:53])[C@H:38]([n:50]2[cH:22][n:49][c:31]3[c:35]([NH2:44])[n:47][cH:21][n:48][c:36]32)[O:67]1)[OH:54])=[O:55])=[O:52])[C:43]1([OH:57])[CH2:14][CH2:10][C@H:28]2[C@@H:26]3[CH2:7][CH2:6][C:24]4=[CH:18][C:25](=[O:51])[CH2:8][CH2:12][C@:41]4([CH3:4])[C@H:27]3[CH2:9][CH2:13][C@@:42]21[CH3:5] |
|