| Properties | Image |
|---|
| MNX_ID | MNXM1100445 |
 |
| reference | keggC:C22252 |
| formula | C19H30N4O16P2 |
| global charge | 0 |
| mol weight | 632.409 |
| InChIKey | KCAODEOZHCZEBC-FXIUTZCOSA-N |
| InChI | InChI=1S/C19H30N4O16P2/c1-7-12(20-8(2)24)15(28)13(21-9(3)25)18(36-7)38-41(33,34)39-40(31,32)35-6-10-14(27)16(29)17(37-10)23-5-4-11(26)22-19(23)30/h4-5,7,10,12-18,27-29H,6H2,1-3H3,(H,20,24)(H,21,25)(H,31,32)(H,33,34)(H,22,26,30)/t7-,10+,12+,13+,14+,15-,16+,17+,18+/m0/s1 |
| SMILES | CC(=O)N[C@H]1[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)O[C@@H](C)[C@@H](NC(C)=O)[C@@H]1O |
MNX internals
| InChI (mnx) | InChI=1/C19H30N4O16P2/c1-7-12(20-8(2)24)15(28)13(21-9(3)25)18(36-7)38-41(33,34)39-40(31,32)35-6-10-14(27)16(29)17(37-10)23-5-4-11(26)22-19(23)30/h4-5,7,10,12-18,27-29H,6H2,1-3H3,(H,20,24)(H,21,25)(H,31,32)(H,33,34)(H,22,26,30)/t7-,10+,12+,13+,14+,15-,16+,17+,18+/m0/s1 |
 |
| SMILES (mnx) | [CH3:1][C@H:7]1[C@@H:12]([N:20]=[C:8]([CH3:2])[OH:24])[C@H:15]([OH:28])[C@@H:13]([N:21]=[C:9]([CH3:3])[OH:25])[C@@H:18]([O:38][P:41]([OH:33])(=[O:34])[O:39][P:40]([OH:31])(=[O:32])[O:35][CH2:6][C@@H:10]2[C@@H:14]([OH:27])[C@@H:16]([OH:29])[C@H:17]([N:23]3[CH:5]=[CH:4][C:11]([OH:26])=[N:22][C:19]3=[O:30])[O:37]2)[O:36]1 |
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