| Properties | Image |
|---|
| MNX_ID | MNXM11649 |
 |
| reference | metacycM:CPD-13163 |
| formula | C18H28N7O14P2 |
| global charge | -1 |
| mol weight | 628.405 |
| InChIKey | RHKVSPQOUBHLQS-BJXVPYKKSA-M |
| InChI | InChI=1S/C18H29N7O14P2/c1-5-8(19)12(28)9(22-6(2)26)17(36-5)38-41(33,34)39-40(31,32)35-3-7-11(27)13(29)16(37-7)25-4-21-10-14(25)23-18(20)24-15(10)30/h4-5,7-9,11-13,16-17,27-29H,3,19H2,1-2H3,(H,22,26)(H,31,32)(H,33,34)(H3,20,23,24,30)/p-1/t5-,7-,8-,9-,11-,12+,13-,16-,17-/m1/s1 |
| SMILES | CC(=O)N[C@H]1[C@@H](OP(=O)([O-])OP(=O)([O-])OC[C@H]2O[C@@H](N3C=NC4=C3N=C(N)NC4=O)[C@H](O)[C@@H]2O)O[C@H](C)[C@@H]([NH3+])[C@@H]1O |
MNX internals
| InChI (mnx) | InChI=1/C18H29N7O14P2/c1-5-8(19)12(28)9(22-6(2)26)17(36-5)38-41(33,34)39-40(31,32)35-3-7-11(27)13(29)16(37-7)25-4-21-10-14(25)23-18(20)24-15(10)30/h4-5,7-9,11-13,16-17,27-29H,3,19H2,1-2H3,(H,22,26)(H,31,32)(H,33,34)(H3,20,23,24,30)/t5-,7-,8-,9-,11-,12+,13-,16-,17-/m1/s1 |
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| SMILES (mnx) | [CH3:1][C@@H:5]1[C@@H:8]([NH2:19])[C@H:12]([OH:28])[C@@H:9]([N:22]=[C:6]([CH3:2])[OH:26])[C@@H:17]([O:38][P:41]([OH:33])(=[O:34])[O:39][P:40]([OH:31])(=[O:32])[O:35][CH2:3][C@@H:7]2[C@@H:11]([OH:27])[C@@H:13]([OH:29])[C@H:16]([N:25]3[CH:4]=[N:21][C:10]4=[C:14]3[NH:23][C:18](=[NH:20])[N:24]=[C:15]4[OH:30])[O:37]2)[O:36]1 |
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