| Properties | Image |
|---|
| MNX_ID | MNXM1132758 |
 |
| reference | metacycM:CPD-24133 |
| formula | C19H27N5O18P2 |
| global charge | -2 |
| mol weight | 675.39 |
| InChIKey | GAOQBGQNAXTDQV-ODMXAZMNSA-L |
| InChI | InChI=1S/C19H29N5O18P2/c1-6(25)21-10-11(22-9(27)4-20)18(40-15(13(10)29)17(31)32)41-44(36,37)42-43(34,35)38-5-7-12(28)14(30)16(39-7)24-3-2-8(26)23-19(24)33/h2-3,7,10-16,18,28-30H,4-5,20H2,1H3,(H,21,25)(H,22,27)(H,31,32)(H,34,35)(H,36,37)(H,23,26,33)/p-2/t7-,10-,11-,12-,13+,14-,15+,16-,18-/m1/s1 |
| SMILES | CC(=O)N[C@H]1[C@H](O)[C@@H](C(=O)[O-])O[C@H](OP(=O)([O-])OP(=O)([O-])OC[C@H]2O[C@@H](N3C=CC(=O)NC3=O)[C@H](O)[C@@H]2O)[C@@H]1NC(=O)C[NH3+] |
MNX internals
| InChI (mnx) | InChI=1/C19H29N5O18P2/c1-6(25)21-10-11(22-9(27)4-20)18(40-15(13(10)29)17(31)32)41-44(36,37)42-43(34,35)38-5-7-12(28)14(30)16(39-7)24-3-2-8(26)23-19(24)33/h2-3,7,10-16,18,28-30H,4-5,20H2,1H3,(H,21,25)(H,22,27)(H,31,32)(H,34,35)(H,36,37)(H,23,26,33)/t7-,10-,11-,12-,13+,14-,15+,16-,18-/m1/s1 |
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| SMILES (mnx) | [CH3:1][C:6](=[N:21][C@@H:10]1[C@@H:11]([N:22]=[C:9]([CH2:4][NH2:20])[OH:27])[C@@H:18]([O:41][P:44]([OH:36])(=[O:37])[O:42][P:43]([OH:34])(=[O:35])[O:38][CH2:5][C@@H:7]2[C@@H:12]([OH:28])[C@@H:14]([OH:30])[C@H:16]([N:24]3[CH:3]=[CH:2][C:8]([OH:26])=[N:23][C:19]3=[O:33])[O:39]2)[O:40][C@H:15]([C:17](=[O:31])[OH:32])[C@H:13]1[OH:29])[OH:25] |
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