| Properties | Image |
MNX_ID | MNXM1107704 |
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reference | biggM:dtdp4addg |
formula | C16H26N3O14P2 |
global charge | -1 |
mol weight | 546.339 |
InChIKey | UIVJXHWSIFBBCY-UHFFFAOYSA-M |
InChI | InChI=1S/C16H27N3O14P2/c1-6-4-19(16(24)18-14(6)23)10-3-8(20)9(31-10)5-29-34(25,26)33-35(27,28)32-15-13(22)12(21)11(17)7(2)30-15/h4,7-13,15,20-22H,3,5,17H2,1-2H3,(H,25,26)(H,27,28)(H,18,23,24)/p-1 |
SMILES | CC1=CN(C2CC(O)C(COP(=O)([O-])OP(=O)([O-])OC3OC(C)C([NH3+])C(O)C3O)O2)C(=O)NC1=O |
MNX internals
InChI (mnx) | InChI=1/C16H27N3O14P2/c1-6-4-19(16(24)18-14(6)23)10-3-8(20)9(31-10)5-29-34(25,26)33-35(27,28)32-15-13(22)12(21)11(17)7(2)30-15/h4,7-13,15,20-22H,3,5,17H2,1-2H3,(H,25,26)(H,27,28)(H,18,23,24)/t7?,8?,9?,10?,11?,12?,13?,15? |
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SMILES (mnx) | [CH3:1][C:6]1=[CH:4][N:19]([CH:10]2[CH2:3][CH:8]([OH:20])[CH:9]([CH2:5][O:29][P:34]([OH:25])(=[O:26])[O:33][P:35]([OH:27])(=[O:28])[O:32][CH:15]3[CH:13]([OH:22])[CH:12]([OH:21])[CH:11]([NH2:17])[CH:7]([CH3:2])[O:30]3)[O:31]2)[C:16](=[O:24])[N:18]=[C:14]1[OH:23] |
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