N(6)-(1,2-dicarboxylatoethyl)-AMP(4-)
AlkaPlorer ID: AK005784
Synonym: 'Adenylsuccinic acid', '', 'N(6)-(1,2-dicarboxylatoethyl)-AMP tetraanion', 'N(6)-(1,2-dicarboxyethyl)-AMP', 'Adenylosuccinic acid', 'N6-(1,2-dicarboxyethyl)-AMP', 'Adenylosuccinate', 'aspartyl adenylate', 'N6-(1,2-Dicarboxyethyl)-AMP'
IUPAC Name: 2-[[9-[(2R,3R,4S,5R)-3,4-dihydroxy-5-(phosphonooxymethyl)oxolan-2-yl]purin-6-yl]amino]butanedioic acid
Structure
SMILES: O=C(O)CC(NC1=C2N=CN([C@@H]3O[C@H](COP(=O)(O)O)[C@@H](O)[C@H]3O)C2=NC=N1)C(=O)O
InChI: InChI=1S/C14H18N5O11P/c20-7(21)1-5(14(24)25)18-11-8-12(16-3-15-11)19(4-17-8)13-10(23)9(22)6(30-13)2-29-31(26,27)28/h3-6,9-10,13,22-23H,1-2H2,(H,20,21)(H,24,25)(H,15,16,18)(H2,26,27,28)/t5?,6-,9-,10-,13-/m1/s1
InChIKey: OFBHPPMPBOJXRT-DPXQIYNJSA-N
Source
| Species | Genus | Family | Order | Class | Phylum | Kingdom | Domain |
|---|---|---|---|---|---|---|---|
| Apis cerana | Apis | Apidae | Hymenoptera | Insecta | Arthropoda | Metazoa | Eukaryota |
Properties Information
Molecule Weight: 463.2960000000001
TPSA？: 246.68
MolLogP？: -2.1054000000000004
Number of H-Donors: 7
Number of H-Acceptors: 12
RingCount: 3
Activities Information
| Organism | Target Name | Standard Type | Standard Value | Standard Units | doi |
|---|---|---|---|---|---|
| Homo sapiens | Adenosine deaminase-like protein | Activity | None | None | 10.1021/jm200650j |