| Properties | Image |
| MNX_ID | MNXM40864 |
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| reference | chebi:62893 |
| formula | C12H19N2O15P3 |
| global charge | 0 |
| mol weight | 524.205 |
| InChIKey | NNJDYOFGDCPDIN-QCNRFFRDSA-N |
| InChI | InChI=1S/C12H19N2O15P3/c1-2-5-25-30(19,20)28-32(23,24)29-31(21,22)26-6-7-9(16)10(17)11(27-7)14-4-3-8(15)13-12(14)18/h2-4,7,9-11,16-17H,1,5-6H2,(H,19,20)(H,21,22)(H,23,24)(H,13,15,18)/t7-,9-,10-,11-/m1/s1 |
| SMILES | C=CCOP(=O)(O)OP(=O)(O)OP(=O)(O)OC[C@H]1O[C@@H](N2C=CC(=O)NC2=O)[C@H](O)[C@@H]1O |
MNX internals
| InChI (mnx) | InChI=1/C12H19N2O15P3/c1-2-5-25-30(19,20)28-32(23,24)29-31(21,22)26-6-7-9(16)10(17)11(27-7)14-4-3-8(15)13-12(14)18/h2-4,7,9-11,16-17H,1,5-6H2,(H,19,20)(H,21,22)(H,23,24)(H,13,15,18)/t7-,9-,10-,11-/m1/s1 |
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| SMILES (mnx) | [CH2:1]=[CH:2][CH2:5][O:25][P:30]([OH:19])(=[O:20])[O:28][P:32]([OH:23])(=[O:24])[O:29][P:31]([OH:21])(=[O:22])[O:26][CH2:6][C@@H:7]1[C@@H:9]([OH:16])[C@@H:10]([OH:17])[C@H:11]([N:14]2[CH:4]=[CH:3][C:8]([OH:15])=[N:13][C:12]2=[O:18])[O:27]1 |
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