| Properties | Image |
|---|
| MNX_ID | MNXM39861 |
 |
| reference | metacycM:CPD0-1631 |
| formula | C15H22N7O5 |
| global charge | 1 |
| mol weight | 380.385 |
| InChIKey | YNKCTZQHSHSLNN-FPYGCLRLSA-O |
| InChI | InChI=1S/C15H21N7O5/c16-6(1-2-7(17)15(25)26)3-8-10(23)11(24)14(27-8)22-5-21-9-12(18)19-4-20-13(9)22/h3-7,10-11,14,23-24H,1-2,16-17H2,(H,25,26)(H2,18,19,20)/p+1/b8-3+ |
| SMILES | NC1=NC=NC2=C1N=CN2C1O/C(=C/C([NH3+])CCC([NH3+])C(=O)[O-])C(O)C1O |
MNX internals
| InChI (mnx) | InChI=1/C15H21N7O5/c16-6(1-2-7(17)15(25)26)3-8-10(23)11(24)14(27-8)22-5-21-9-12(18)19-4-20-13(9)22/h3-7,10-11,14,23-24H,1-2,16-17H2,(H,25,26)(H2,18,19,20)/b8-3+/t6?,7?,10?,11?,14? |
 |
| SMILES (mnx) | [CH2:1]([CH2:2][CH:7]([C:15](=[O:25])[OH:26])[NH2:17])[CH:6](/[CH:3]=[C:8]1\[CH:10]([OH:23])[CH:11]([OH:24])[CH:14]([N:22]2[CH:5]=[N:21][C:9]3=[C:12]([NH2:18])[N:19]=[CH:4][N:20]=[C:13]32)[O:27]1)[NH2:16] |
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