3-({5-amino-1-[(2R,3R,4R,5S)-3,4-dihydroxy-5-[(phosphonooxy)methyl]oxolan-2-yl]imidazole-4-carbonyl}carbamoyl)propanoic acid
AlkaPlorer ID: AK254605
Synonym: None
IUPAC Name: 4-[[5-amino-1-[(2R,3R,4R,5S)-3,4-dihydroxy-5-(phosphonooxymethyl)oxolan-2-yl]imidazole-4-carbonyl]amino]-4-oxobutanoic acid
Structure
SMILES: NC1=C(C(=O)N=C(O)CCC(=O)O)N=CN1[C@@H]1O[C@@H](COP(=O)(O)O)[C@H](O)[C@H]1O
InChI: InChI=1S/C13H19N4O11P/c14-11-8(12(23)16-6(18)1-2-7(19)20)15-4-17(11)13-10(22)9(21)5(28-13)3-27-29(24,25)26/h4-5,9-10,13,21-22H,1-3,14H2,(H,19,20)(H,16,18,23)(H2,24,25,26)/t5-,9-,10+,13+/m0/s1
InChIKey: RWVTVGQLTDIUSF-HXFUSZJKSA-N
Reference
Imidazole Compounds Accumulated by Purine Mutants of Neurospora crassa
PubChem CID: 163026471
LOTUS: LTS0224978
SuperNatural Ⅲ: SN0337374-01
Source
| Species | Genus | Family | Order | Class | Phylum | Kingdom | Domain |
|---|---|---|---|---|---|---|---|
| Neurospora crassa | Neurospora | Sordariaceae | Sordariales | Sordariomycetes | Ascomycota | Fungi | Eukaryota |
Properties Information
Molecule Weight: 438.2860000000001
TPSA？: 247.25
MolLogP？: -1.8447
Number of H-Donors: 7
Number of H-Acceptors: 10
RingCount: 2
Activities Information
| Organism | Target Name | Standard Type | Standard Value | Standard Units | doi |
|---|