Molecule

Pentopyranic acid

AlkaPlorer ID: AK030966

Synonym: None

IUPAC Name: (2S,3S,4S,5R,6R)-6-(4-amino-2-oxopyrimidin-1-yl)-3,4,5-trihydroxyoxane-2-carboxylic acid

SMILES: N=C1C=CN([C@@H]2O[C@H](C(=O)O)[C@@H](O)[C@H](O)[C@H]2O)C(O)=N1

InChI: InChI=1S/C10H13N3O7/c11-3-1-2-13(10(19)12-3)8-6(16)4(14)5(15)7(20-8)9(17)18/h1-2,4-8,14-16H,(H,17,18)(H2,11,12,19)/t4-,5-,6+,7-,8+/m0/s1

InChIKey: CHKIQPXDGYGCHW-YOWKYNACSA-N

PubChem CID: 191536

LOTUS: LTS0007042

SuperNatural Ⅲ: SN0045829-01

NPASS: NPC310803

{

NPAtlas: NPA017479

Species	Genus	Family	Order	Class	Phylum	Kingdom	Domain
Streptomyces griseochromogenes	Streptomyces	Streptomycetaceae	Kitasatosporales	Actinomycetes	Actinomycetota	None	Bacteria

Molecule Weight: 287.228

TPSA？: 169.12

MolLogP？: -2.8671299999999995

Number of H-Donors: 6

Number of H-Acceptors: 9

RingCount: 2

Organism	Target Name	Standard Type	Standard Value	Standard Units	doi

AKRT ID	Reaction	Reaction Link ID
AKRT020580	Nc1cc[nH]c(=O)n1.O=C(O)[C@H]1O[C@H](OP(=O)(O)OP(=O)(O)OC[C@H]2O[C@@H](n3ccc(=O)[nH]c3=O)[C@H](O)[C@@H]2O)[C@H](O)[C@@H](O)[C@@H]1O>>Nc1ccn([C@@H]2O[C@H](C(=O)O)[C@@H](O)[C@H](O)[C@H]2O)c(=O)n1	RXN-15927
AKRT020793	Nc1ccn([C@@H]2O[C@H](C(=O)O)[C@@H](O)[C@H](O)[C@H]2O)c(=O)n1>>Nc1ccn([C@@H]2OC[C@@H](O)[C@H](O)[C@H]2O)c(=O)n1	MNXR191614
AKRT020794	Nc1ccn([C@@H]2O[C@H](C(=O)O)[C@@H](O)[C@H](O)[C@H]2O)c(=O)n1>>Nc1ccn([C@@H]2O[C@H](C(=O)O)C(=O)[C@H](O)[C@H]2O)c(=O)n1	RXN-15928
AKRT020795	Nc1ccn([C@@H]2O[C@H](C(=O)O)[C@@H](O)[C@H](O)[C@H]2O)c(=O)n1>>O=C=O	MNXR191614