(2S)-2-({5-amino-1-[(2S,3S,4R,5R)-3,4-dihydroxy-5-[(phosphonooxy)methyl]oxolan-2-yl]imidazol-4-yl}formamido)butanedioic acid
AlkaPlorer ID: AK318911
Synonym: None
IUPAC Name: None
Structure
SMILES: NC1=C(C(=O)N[C@@H](CC(=O)O)C(=O)O)N=CN1[C@H]1O[C@H](COP(=O)(O)O)[C@H](O)[C@@H]1O
InChI: InChI=1S/C13H19N4O12P/c14-10-7(11(22)16-4(13(23)24)1-6(18)19)15-3-17(10)12-9(21)8(20)5(29-12)2-28-30(25,26)27/h3-5,8-9,12,20-21H,1-2,14H2,(H,16,22)(H,18,19)(H,23,24)(H2,25,26,27)/t4-,5+,8-,9-,12-/m0/s1
InChIKey: NAQGHJTUZRHGAC-BABXHMPUSA-N
Source
| Species | Genus | Family | Order | Class | Phylum | Kingdom | Domain |
|---|---|---|---|---|---|---|---|
| Daphnia pulex | Daphnia | Daphniidae | Diplostraca | Branchiopoda | Arthropoda | Metazoa | Eukaryota |
| Monarda fistulosa | Monarda | Lamiaceae | Lamiales | Magnoliopsida | Streptophyta | Viridiplantae | Eukaryota |
Properties Information
Molecule Weight: 454.28500000000014
TPSA？: 263.98999999999995
MolLogP？: -3.148499999999998
Number of H-Donors: 8
Number of H-Acceptors: 11
RingCount: 2
Activities Information
| Organism | Target Name | Standard Type | Standard Value | Standard Units | doi |
|---|