| Properties | Image |
|---|
| MNX_ID | MNXM149195 |
 |
| reference | metacycM:CPD-18052 |
| formula | C19H41N5O10P |
| global charge | 3 |
| mol weight | 530.536 |
| InChIKey | OVOHVJVZOJPCOH-YLCAPIJQSA-Q |
| InChI | InChI=1S/C19H38N5O10P/c1-19(26)7-30-18(15(16(19)24-2)34-35(27,28)29)33-14-11(23)5-10(22)13(12(14)25)32-17-9(21)4-3-8(6-20)31-17/h3,9-18,24-26H,4-7,20-23H2,1-2H3,(H2,27,28,29)/p+3/t9-,10+,11-,12+,13-,14+,15-,16-,17-,18+,19+/m1/s1 |
| SMILES | C[NH2+][C@@H]1[C@@H](OP(=O)([O-])[O-])[C@H](O[C@@H]2[C@@H](O)[C@H](O[C@H]3OC(C[NH3+])=CC[C@H]3[NH3+])[C@@H]([NH3+])C[C@H]2[NH3+])OC[C@]1(C)O |
MNX internals
| InChI (mnx) | InChI=1/C19H38N5O10P/c1-19(26)7-30-18(15(16(19)24-2)34-35(27,28)29)33-14-11(23)5-10(22)13(12(14)25)32-17-9(21)4-3-8(6-20)31-17/h3,9-18,24-26H,4-7,20-23H2,1-2H3,(H2,27,28,29)/t9-,10+,11-,12+,13-,14+,15-,16-,17-,18+,19+/m1/s1 |
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| SMILES (mnx) | [CH3:1][C@:19]1([OH:26])[CH2:7][O:30][C@@H:18]([O:33][C@H:14]2[C@H:11]([NH2:23])[CH2:5][C@H:10]([NH2:22])[C@@H:13]([O:32][C@@H:17]3[C@H:9]([NH2:21])[CH2:4][CH:3]=[C:8]([CH2:6][NH2:20])[O:31]3)[C@@H:12]2[OH:25])[C@H:15]([O:34][P:35]([OH:27])([OH:28])=[O:29])[C@H:16]1[NH:24][CH3:2] |
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