| Properties | Image |
|---|
| MNX_ID | MNXM1371118 |
 |
| reference | biggM:prbatp |
| formula | C15H22N5O20P4 |
| global charge | -3 |
| mol weight | 716.252 |
| InChIKey | KYTPWZMUSLPBJZ-UHFFFAOYSA-K |
| InChI | InChI=1S/C15H25N5O20P4/c16-12-7-13(18-4-19(12)14-10(23)8(21)5(37-14)1-35-41(25,26)27)20(3-17-7)15-11(24)9(22)6(38-15)2-36-43(31,32)40-44(33,34)39-42(28,29)30/h3-6,8-11,14-16,21-24H,1-2H2,(H6,25,26,27,28,29,30,31,32,33,34)/p-3 |
| SMILES | NC1=[N+](C2OC(COP(=O)([O-])O)C(O)C2O)C=NC2=C1N=CN2C1OC(COP(=O)([O-])OP(=O)([O-])OP(=O)([O-])O)C(O)C1O |
MNX internals
| InChI (mnx) | InChI=1/C15H25N5O20P4/c16-12-7-13(18-4-19(12)14-10(23)8(21)5(37-14)1-35-41(25,26)27)20(3-17-7)15-11(24)9(22)6(38-15)2-36-43(31,32)40-44(33,34)39-42(28,29)30/h3-6,8-11,14-16,21-24H,1-2H2,(H6,25,26,27,28,29,30,31,32,33,34)/t5?,6?,8?,9?,10?,11?,14?,15? |
 |
| SMILES (mnx) | [CH2:1]([CH:5]1[CH:8]([OH:21])[CH:10]([OH:23])[CH:14]([N+:19]2=[C:12]([NH2:16])[C:7]3=[C:13]([N:18]=[CH:4]2)[N:20]([CH:15]2[CH:11]([OH:24])[CH:9]([OH:22])[CH:6]([CH2:2][O:36][P:43](=[O:31])([OH:32])[O:40][P:44](=[O:33])([OH:34])[O:39][P:42](=[O:28])([OH:29])[OH:30])[O:38]2)[CH:3]=[N:17]3)[O:37]1)[O:35][P:41](=[O:25])([O-:26])[OH:27] |
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