| Properties | Image |
|---|
| MNX_ID | MNXM1594223 |
 |
| reference | vmhM:dltb4wacoa
vmhM:dltb4wacoa |
| formula | C41H61N7O21P3S |
| global charge | -5 |
| mol weight | 1112.956 |
| InChIKey | NACDUZXSZJHFJB-UTSPPWNDSA-I |
| InChI | InChI=1S/C41H66N7O21P3S/c1-41(2,24-66-72(63,64)69-71(61,62)65-23-29-35(68-70(58,59)60)34(55)40(67-29)48-26-47-33-37(42)45-25-46-38(33)48)36(56)39(57)44-20-19-30(51)43-21-22-73-32(54)18-11-5-3-4-8-13-27(49)14-9-6-7-10-15-28(50)16-12-17-31(52)53/h4,6-8,10,15,25-29,34-36,40,49-50,55-56H,3,5,9,11-14,16-24H2,1-2H3,(H,43,51)(H,44,57)(H,52,53)(H,61,62)(H,63,64)(H2,42,45,46)(H2,58,59,60)/p-5/b7-6+,8-4-,15-10-/t27-,28-,29-,34-,35-,36+,40-/m1/s1 |
| SMILES | CC(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-])[C@@H](O)C(=O)NCCC(=O)NCCSC(=O)CCCC/C=C\C[C@@H](O)CC/C=C/C=C\[C@@H](O)CCCC(=O)[O-] |
MNX internals
| InChI (mnx) | InChI=1/C41H66N7O21P3S/c1-41(2,24-66-72(63,64)69-71(61,62)65-23-29-35(68-70(58,59)60)34(55)40(67-29)48-26-47-33-37(42)45-25-46-38(33)48)36(56)39(57)44-20-19-30(51)43-21-22-73-32(54)18-11-5-3-4-8-13-27(49)14-9-6-7-10-15-28(50)16-12-17-31(52)53/h4,6-8,10,15,25-29,34-36,40,49-50,55-56H,3,5,9,11-14,16-24H2,1-2H3,(H,43,51)(H,44,57)(H,52,53)(H,61,62)(H,63,64)(H2,42,45,46)(H2,58,59,60)/b7-6+,8-4-,15-10-/t27-,28-,29-,34-,35-,36+,40-/m1/s1 |
 |
| SMILES (mnx) | [CH3:1][C:41]([CH3:2])([CH2:24][O:66][P:72]([OH:63])(=[O:64])[O:69][P:71]([OH:61])(=[O:62])[O:65][CH2:23][C@@H:29]1[C@@H:35]([O:68][P:70]([OH:58])([OH:59])=[O:60])[C@@H:34]([OH:55])[C@H:40]([n:48]2[cH:26][n:47][c:33]3[c:37]([NH2:42])[n:45][cH:25][n:46][c:38]32)[O:67]1)[C@H:36]([C:39]([NH:44][CH2:20][CH2:19][C:30]([NH:43][CH2:21][CH2:22][S:73][C:32]([CH2:18][CH2:11][CH2:5][CH2:3]/[CH:4]=[CH:8]\[CH2:13][C@H:27]([CH2:14][CH2:9]/[CH:6]=[CH:7]/[CH:10]=[CH:15]\[C@H:28]([CH2:16][CH2:12][CH2:17][C:31]([OH:52])=[O:53])[OH:50])[OH:49])=[O:54])=[O:51])=[O:57])[OH:56] |
|