| Properties | Image |
MNX_ID | MNXM1372083 |
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reference | seedM:cpd23376 |
formula | C10H11N5O9P |
global charge | -3 |
mol weight | 376.198 |
InChIKey | VORAABLXAITQCC-UMMCILCDSA-K |
InChI | InChI=1S/C10H14N5O9P/c11-9-13-6-3(7(18)14-9)12-10(19)15(6)8-5(17)4(16)2(24-8)1-23-25(20,21)22/h2,4-5,8,16-17H,1H2,(H6,11,12,13,14,18,19,20,21,22)/p-3/t2-,4-,5-,8-/m1/s1 |
SMILES | NC1=NC(=O)C2=C(N1)N([C@@H]1O[C@H](COP(=O)([O-])[O-])[C@@H](O)[C@H]1O)C(=O)[N-]2 |
MNX internals
InChI (mnx) | InChI=1/C10H14N5O9P/c11-9-13-6-3(7(18)14-9)12-10(19)15(6)8-5(17)4(16)2(24-8)1-23-25(20,21)22/h2,4-5,8,16-17H,1H2,(H6,11,12,13,14,18,19,20,21,22)/t2-,4-,5-,8-/m1/s1 |
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SMILES (mnx) | [CH2:1]([C@@H:2]1[C@@H:4]([OH:16])[C@@H:5]([OH:17])[C@H:8]([N:15]2[C:6]3=[C:3]([C:7](=[O:18])[N-:14][C:9](=[NH2+:11])[NH:13]3)[N:12]=[C:10]2[OH:19])[O:24]1)[O:23][P:25]([OH:20])([OH:21])=[O:22] |
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