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

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Basic information

EntryDatabase: PDB chemical components / ID: LAO
NameName: 2-O-phosphono-alpha-L-arabinopyranose
Synonyms: 2-O-phosphono-alpha-L-arabinose; 2-O-phosphono-L-arabinose; 2-O-phosphono-arabinose

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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 componentFeb 27, 2014
Initial releaseAug 19, 2015
Other modificationJul 3, 2020
Modify parent residueJul 17, 2020
Modify synonymsJul 17, 2020
Modify linking typeJul 17, 2020
Modify atom idJul 17, 2020
Modify component atom idJul 17, 2020
Modify leaving atom flagJul 17, 2020
Modify leaving atom flagJan 10, 2023
External linksUniChem / ChemSpider / PubChem / ZINC / Wikipedia search / Google search

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Structure visualization

Structure viewerMolecule:
MolmilJmol/JSmol

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Details

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SMILES

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

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SMILES CANONICAL

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

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InChI

InChI 1.03InChI=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

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InChIKey

InChI 1.03QIAIUTJEZJIPSH-QMKXCQHVSA-N

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SYSTEMATIC NAME

ACDLabs 12.012-O-phosphono-alpha-L-arabinopyranose
OpenEye OEToolkits 1.7.6[(2R,3R,4S,5S)-2,4,5-tris(oxidanyl)oxan-3-yl] dihydrogen phosphate

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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

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