| Properties | Image |
|---|
| MNX_ID | MNXM1100955 |
 |
| reference | chebi:85719 |
| formula | C26H35N5O22P2 |
| global charge | -2 |
| mol weight | 831.527 |
| InChIKey | HECRCVMEGBDFBF-UHRWQZKYSA-L |
| InChI | InChI=1S/C26H37N5O22P2/c1-8(32)27-14-17(38)15(36)10(6-9(33)21-18(39)20(41)23(51-21)31-5-3-13(35)29-26(31)43)50-24(14)52-55(46,47)53-54(44,45)48-7-11-16(37)19(40)22(49-11)30-4-2-12(34)28-25(30)42/h2-5,9-11,14-24,33,36-41H,6-7H2,1H3,(H,27,32)(H,44,45)(H,46,47)(H,28,34,42)(H,29,35,43)/p-2/t9?,10-,11-,14-,15+,16-,17-,18+,19-,20-,21-,22-,23-,24-/m1/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](CC(O)[C@H]2O[C@@H](N3C=CC(=O)NC3=O)[C@H](O)[C@@H]2O)[C@H](O)[C@@H]1O |
MNX internals
| InChI (mnx) | InChI=1/C26H37N5O22P2/c1-8(32)27-14-17(38)15(36)10(6-9(33)21-18(39)20(41)23(51-21)31-5-3-13(35)29-26(31)43)50-24(14)52-55(46,47)53-54(44,45)48-7-11-16(37)19(40)22(49-11)30-4-2-12(34)28-25(30)42/h2-5,9-11,14-24,33,36-41H,6-7H2,1H3,(H,27,32)(H,44,45)(H,46,47)(H,28,34,42)(H,29,35,43)/t9?,10-,11-,14-,15+,16-,17-,18+,19-,20-,21-,22-,23-,24-/m1/s1 |
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| SMILES (mnx) | [CH3:1][C:8](=[N:27][C@@H:14]1[C@@H:17]([OH:38])[C@@H:15]([OH:36])[C@@H:10]([CH2:6][CH:9]([C@@H:21]2[C@@H:18]([OH:39])[C@@H:20]([OH:41])[C@H:23]([N:31]3[CH:5]=[CH:3][C:13]([OH:35])=[N:29][C:26]3=[O:43])[O:51]2)[OH:33])[O:50][C@@H:24]1[O:52][P:55]([OH:46])(=[O:47])[O:53][P:54]([OH:44])(=[O:45])[O:48][CH2:7][C@@H:11]1[C@@H:16]([OH:37])[C@@H:19]([OH:40])[C@H:22]([N:30]2[CH:4]=[CH:2][C:12]([OH:34])=[N:28][C:25]2=[O:42])[O:49]1)[OH:32] |
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