| Properties | Image |
|---|
| MNX_ID | MNXM11648 |
 |
| reference | metacycM:CPD-13162 |
| formula | C18H24N6O15P2 |
| global charge | -2 |
| mol weight | 626.365 |
| InChIKey | VJXVUJXWMWEUGQ-GFHMCZKSSA-L |
| InChI | InChI=1S/C18H26N6O15P2/c1-5-10(26)12(28)8(21-6(2)25)17(36-5)38-41(33,34)39-40(31,32)35-3-7-11(27)13(29)16(37-7)24-4-20-9-14(24)22-18(19)23-15(9)30/h4-5,7-8,11-13,16-17,27-29H,3H2,1-2H3,(H,21,25)(H,31,32)(H,33,34)(H3,19,22,23,30)/p-2/t5-,7-,8-,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(=O)[C@@H]1O |
MNX internals
| InChI (mnx) | InChI=1/C18H26N6O15P2/c1-5-10(26)12(28)8(21-6(2)25)17(36-5)38-41(33,34)39-40(31,32)35-3-7-11(27)13(29)16(37-7)24-4-20-9-14(24)22-18(19)23-15(9)30/h4-5,7-8,11-13,16-17,27-29H,3H2,1-2H3,(H,21,25)(H,31,32)(H,33,34)(H3,19,22,23,30)/t5-,7-,8-,11-,12-,13-,16-,17-/m1/s1 |
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| SMILES (mnx) | [CH3:1][C@@H:5]1[C:10](=[O:26])[C@H:12]([OH:28])[C@@H:8]([N:21]=[C:6]([CH3:2])[OH:25])[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:24]3[CH:4]=[N:20][C:9]4=[C:14]3[NH:22][C:18](=[NH:19])[N:23]=[C:15]4[OH:30])[O:37]2)[O:36]1 |
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