3-({5-amino-1-[(2S,3S,4S,5R)-3,4-dihydroxy-5-(hydroxymethyl)oxolan-2-yl]imidazole-4-carbonyl}carbamoyl)propanoic acid
AlkaPlorer ID: AK172154
Synonym: None
IUPAC Name: 4-[[5-amino-1-[(2S,3S,4S,5R)-3,4-dihydroxy-5-(hydroxymethyl)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](CO)[C@@H](O)[C@@H]1O
InChI: InChI=1S/C13H18N4O8/c14-11-8(12(24)16-6(19)1-2-7(20)21)15-4-17(11)13-10(23)9(22)5(3-18)25-13/h4-5,9-10,13,18,22-23H,1-3,14H2,(H,20,21)(H,16,19,24)/t5-,9-,10+,13+/m1/s1
InChIKey: RRAGIIYQJOGSFI-BBTRXROASA-N
Reference
Imidazole Compounds Accumulated by Purine Mutants of Neurospora crassa
PubChem CID: 162947144
LOTUS: LTS0169804
SuperNatural Ⅲ: SN0332904-01
Source
| Species | Genus | Family | Order | Class | Phylum | Kingdom | Domain |
|---|---|---|---|---|---|---|---|
| Neurospora crassa | Neurospora | Sordariaceae | Sordariales | Sordariomycetes | Ascomycota | Fungi | Eukaryota |
Properties Information
Molecule Weight: 358.3070000000001
TPSA？: 200.72
MolLogP？: -1.961699999999999
Number of H-Donors: 6
Number of H-Acceptors: 9
RingCount: 2
Activities Information
| Organism | Target Name | Standard Type | Standard Value | Standard Units | doi |
|---|