ChemComp-LAO: 2-O-phosphono-alpha-L-arabinopyranose

Basic information

• Entry: Database: PDB chemical components / ID: LAO
• Name: Name: 2-O-phosphono-alpha-L-arabinopyranose; Synonyms: 2-O-phosphono-alpha-L-arabinose; 2-O-phosphono-L-arabinose; 2-O-phosphono-arabinose

Chemical information

Composition

Formula: C₅H₁₁O₈P / Number of atoms: 25 / Formula weight: 230.11 / Formal charge: 0

Others

4oux
PDB Unreleased entry

ARA

Type: L-saccharide, alpha linking / PDB classification: ATOMS / Three letter code: LAO / Ideal coordinates details: Corina / Model coordinates PDB-ID: 4OUX / Parent comp.: ARA

History

Create component	Feb 27, 2014
Initial release	Aug 19, 2015
Other modification	Jul 3, 2020
Modify parent residue	Jul 17, 2020
Modify synonyms	Jul 17, 2020
Modify linking type	Jul 17, 2020
Modify atom id	Jul 17, 2020
Modify component atom id	Jul 17, 2020
Modify leaving atom flag	Jul 17, 2020
Modify leaving atom flag	Jan 10, 2023

• External links: UniChem / ChemSpider / Wikipedia search / Google search

Details

SMILES

• ACDLabs 12.01: O=P(OC1C(O)C(O)COC1O)(O)O
• CACTVS 3.385: O[CH]1CO[CH](O)[CH](O[P](O)(O)=O)[CH]1O
• OpenEye OEToolkits 1.7.6: C1C(C(C(C(O1)O)OP(=O)(O)O)O)O

SMILES CANONICAL

• CACTVS 3.385: O[C@H]1CO[C@@H](O)[C@H](O[P](O)(O)=O)[C@H]1O
• OpenEye OEToolkits 1.7.6: C1[C@@H]([C@@H]([C@H]([C@@H](O1)O)OP(=O)(O)O)O)O

InChI

• InChI 1.03: InChI=1S/C5H11O8P/c6-2-1-12-5(8)4(3(2)7)13-14(9,10)11/h2-8H,1H2,(H2,9,10,11)/t2-,3-,4+,5+/m0/s1

InChIKey

• InChI 1.03: QIAIUTJEZJIPSH-QMKXCQHVSA-N

SYSTEMATIC NAME

• ACDLabs 12.01: 2-O-phosphono-alpha-L-arabinopyranose
• OpenEye OEToolkits 1.7.6: [(2R,3R,4S,5S)-2,4,5-tris(oxidanyl)oxan-3-yl] dihydrogen phosphate

PDB entries

Showing all 4 items

PDB-4zei:
PBP AccA from A. tumefaciens C58 in complex with L-arabinose-2-phosphate

PDB-8ch1:
PBP AccA from A. vitis S4 in complex with Agrocinopine A

PDB-8ch2:
PBP AccA from A. vitis S4 in complex with L-arabinose-2-phosphate (A2P)

PDB-8cke:
PBP AccA from A.tumefaciens C58 in complex with agrocinopine A in space group I222