| Properties | Image |
|---|
| MNX_ID | MNXM1592756 |
 |
| reference | vmhM:ac9Oacnam_cmp
vmhM:ac9Oacnam_cmp |
| formula | C22H31N4O17P |
| global charge | -2 |
| mol weight | 654.475 |
| InChIKey | ZMMQGPOJIJZZEV-UGCPFXIVSA-L |
| InChI | InChI=1S/C22H33N4O17P/c1-8(27)24-14-10(29)5-22(20(34)35,42-18(14)15(31)11(30)6-39-9(2)28)43-44(37,38)40-7-12-16(32)17(33)19(41-12)26-4-3-13(23)25-21(26)36/h3-4,10-12,14-19,29-33H,5-7H2,1-2H3,(H,24,27)(H,34,35)(H,37,38)(H2,23,25,36)/p-2/t10-,11-,12-,14-,15-,16-,17+,18-,19-,22-/m1/s1 |
| SMILES | CC(=O)N[C@H]1[C@H]([C@H](O)[C@H](O)COC(C)=O)O[C@](OP(=O)([O-])OC[C@H]2O[C@@H](n3ccc(N)nc3=O)[C@@H](O)[C@@H]2O)(C(=O)[O-])C[C@H]1O |
MNX internals
| InChI (mnx) | InChI=1/C22H33N4O17P/c1-8(27)24-14-10(29)5-22(20(34)35,42-18(14)15(31)11(30)6-39-9(2)28)43-44(37,38)40-7-12-16(32)17(33)19(41-12)26-4-3-13(23)25-21(26)36/h3-4,10-12,14-19,29-33H,5-7H2,1-2H3,(H,24,27)(H,34,35)(H,37,38)(H2,23,25,36)/t10-,11-,12-,14-,15-,16-,17+,18-,19-,22-/m1/s1 |
 |
| SMILES (mnx) | [CH3:1][C:8]([NH:24][C@@H:14]1[C@H:10]([OH:29])[CH2:5][C@:22]([C:20]([OH:34])=[O:35])([O:43][P:44](=[O:37])([OH:38])[O:40][CH2:7][C@@H:12]2[C@@H:16]([OH:32])[C@H:17]([OH:33])[C@H:19]([n:26]3[cH:4][cH:3][c:13]([NH2:23])[n:25][c:21]3=[O:36])[O:41]2)[O:42][C@H:18]1[C@@H:15]([C@@H:11]([CH2:6][O:39][C:9]([CH3:2])=[O:28])[OH:30])[OH:31])=[O:27] |
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