| Properties | Image |
|---|
| MNX_ID | MNXM166859 |
 |
| reference | chebi:233219 |
| formula | C23H37N7O14P2S |
| global charge | 0 |
| mol weight | 729.599 |
| InChIKey | XEFUABMMGJVHSD-ZSJPKINUSA-N |
| InChI | InChI=1S/C23H37N7O14P2S/c1-12(31)47-7-6-25-14(32)4-5-26-21(36)18(35)23(2,3)9-42-46(39,40)44-45(37,38)41-8-13-16(33)17(34)22(43-13)30-11-29-15-19(24)27-10-28-20(15)30/h10-11,13,16-18,22,33-35H,4-9H2,1-3H3,(H,25,32)(H,26,36)(H,37,38)(H,39,40)(H2,24,27,28)/t13-,16-,17-,18+,22-/m1/s1 |
| SMILES | CC(=O)SCCNC(=O)CCNC(=O)[C@H](O)C(C)(C)COP(=O)(O)OP(=O)(O)OC[C@H]1O[C@@H](N2C=NC3=C2N=CN=C3N)[C@H](O)[C@@H]1O |
MNX internals
| InChI (mnx) | InChI=1/C23H37N7O14P2S/c1-12(31)47-7-6-25-14(32)4-5-26-21(36)18(35)23(2,3)9-42-46(39,40)44-45(37,38)41-8-13-16(33)17(34)22(43-13)30-11-29-15-19(24)27-10-28-20(15)30/h10-11,13,16-18,22,33-35H,4-9H2,1-3H3,(H,25,32)(H,26,36)(H,37,38)(H,39,40)(H2,24,27,28)/t13-,16-,17-,18+,22-/m1/s1 |
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| SMILES (mnx) | [CH3:1][C:12](=[O:31])[S:47][CH2:7][CH2:6][N:25]=[C:14]([CH2:4][CH2:5][N:26]=[C:21]([C@@H:18]([C:23]([CH3:2])([CH3:3])[CH2:9][O:42][P:46]([OH:39])(=[O:40])[O:44][P:45]([OH:37])(=[O:38])[O:41][CH2:8][C@@H:13]1[C@@H:16]([OH:33])[C@@H:17]([OH:34])[C@H:22]([N:30]2[CH:11]=[N:29][C:15]3=[C:19]([NH2:24])[N:27]=[CH:10][N:28]=[C:20]32)[O:43]1)[OH:35])[OH:36])[OH:32] |
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