| Properties | Image |
|---|
| MNX_ID | MNXM1100735 |
 |
| reference | metacycM:CPD-17019 |
| formula | C18H27N5O18P2 |
| global charge | -2 |
| mol weight | 663.379 |
| InChIKey | LGMICPKJPOWWCA-VBMSAQGGSA-L |
| InChI | InChI=1S/C18H29N5O18P2/c19-18-21-14-6(15(32)22-18)20-3-23(14)16-11(30)8(27)5(38-16)2-37-42(33,34)41-43(35,36)40-17-12(31)9(28)10(29)13(39-17)7(26)4(25)1-24/h3-5,7-13,16-17,24-31H,1-2H2,(H,33,34)(H,35,36)(H3,19,21,22,32)/p-2/t4-,5-,7-,8-,9+,10+,11-,12-,13-,16-,17-/m1/s1 |
| SMILES | NC1=NC2=C(N=CN2[C@@H]2O[C@H](COP(=O)([O-])OP(=O)([O-])O[C@H]3O[C@H]([C@H](O)[C@H](O)CO)[C@@H](O)[C@H](O)[C@H]3O)[C@@H](O)[C@H]2O)C(=O)N1 |
MNX internals
| InChI (mnx) | InChI=1/C18H29N5O18P2/c19-18-21-14-6(15(32)22-18)20-3-23(14)16-11(30)8(27)5(38-16)2-37-42(33,34)41-43(35,36)40-17-12(31)9(28)10(29)13(39-17)7(26)4(25)1-24/h3-5,7-13,16-17,24-31H,1-2H2,(H,33,34)(H,35,36)(H3,19,21,22,32)/t4-,5-,7-,8-,9+,10+,11-,12-,13-,16-,17-/m1/s1 |
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| SMILES (mnx) | [CH2:1]([C@H:4]([C@H:7]([C@@H:13]1[C@@H:10]([OH:29])[C@H:9]([OH:28])[C@@H:12]([OH:31])[C@@H:17]([O:40][P:43]([OH:35])(=[O:36])[O:41][P:42]([OH:33])(=[O:34])[O:37][CH2:2][C@@H:5]2[C@@H:8]([OH:27])[C@@H:11]([OH:30])[C@H:16]([N:23]3[CH:3]=[N:20][C:6]4=[C:14]3[NH:21][C:18](=[NH:19])[N:22]=[C:15]4[OH:32])[O:38]2)[O:39]1)[OH:26])[OH:25])[OH:24] |
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