Molecule

5-[(2S)-2-amino-2-carboxyethyl]-6-oxopyran-2-carboxylic acid

AlkaPlorer ID: AK075722

Synonym: None

IUPAC Name: 5-[(2S)-2-amino-2-carboxyethyl]-6-oxopyran-2-carboxylic acid

SMILES: N[C@@H](CC1=CC=C(C(=O)O)OC1=O)C(=O)O

InChI: InChI=1S/C9H9NO6/c10-5(7(11)12)3-4-1-2-6(8(13)14)16-9(4)15/h1-2,5H,3,10H2,(H,11,12)(H,13,14)/t5-/m0/s1

InChIKey: GHFJNBYZGVNAOV-YFKPBYRVSA-N

PubChem CID: 167652

CAS: 17388-96-4

LOTUS: LTS0247911

SuperNatural Ⅲ: SN0105677-02

NPASS: NPC208516

Species	Genus	Family	Order	Class	Phylum	Kingdom	Domain
Salix cheilophila	Salix	Salicaceae	Malpighiales	Magnoliopsida	Streptophyta	Viridiplantae	Eukaryota
Carausius morosus	Carausius	Lonchodidae	Phasmatodea	Insecta	Arthropoda	Metazoa	Eukaryota
Hordeum vulgare	Hordeum	Poaceae	Poales	Magnoliopsida	Streptophyta	Viridiplantae	Eukaryota
Helicteres isora	Helicteres	Malvaceae	Malvales	Magnoliopsida	Streptophyta	Viridiplantae	Eukaryota
Parmotrema conformatum	Parmotrema	Parmeliaceae	Lecanorales	Lecanoromycetes	Ascomycota	Fungi	Eukaryota
Ophioderma longicauda	Ophioderma	Ophiodermatidae	Amphilepidida	Ophiuroidea	Echinodermata	Metazoa	Eukaryota
Lindackeria dentata	Lindackeria	Achariaceae	Malpighiales	Magnoliopsida	Streptophyta	Viridiplantae	Eukaryota
Zephyranthes rosea	Zephyranthes	Amaryllidaceae	Asparagales	Magnoliopsida	Streptophyta	Viridiplantae	Eukaryota

Molecule Weight: 227.172

TPSA？: 130.82999999999998

MolLogP？: -0.7075999999999996

Number of H-Donors: 3

Number of H-Acceptors: 5

RingCount: 1

Organism	Target Name	Standard Type	Standard Value	Standard Units	doi

AKRT ID	Reaction	Reaction Link ID
AKRT018604	N[C@@H](C/C(C=O)=C/C=C(/O)C(=O)O)C(=O)O>>N[C@@H](Cc1ccc(C(=O)O)oc1=O)C(=O)O	RXN-12857
AKRT019874	N[C@@H](Cc1ccc(C(=O)O)oc1=O)C(=O)O>>N[C@@H](C/C(C=O)=C/C=C(/O)C(=O)O)C(=O)O	MNXR176510