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- ChemComp-XXM: 3-C-(hydroxylmethyl)-alpha-D-erythrofuranose -

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Basic information

EntryDatabase: PDB chemical components / ID: XXM
NameName: 3-C-(hydroxylmethyl)-alpha-D-erythrofuranose
Synonyms: alpha-D-apiose; 3-C-(hydroxylmethyl)-alpha-D-erythrose; 3-C-(hydroxylmethyl)-D-erythrose;

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Chemical information

Composition
Formula: C5H10O5 / Number of atoms: 20 / Formula weight: 150.13 / Formal charge: 0
Others

5ibq

Type: D-saccharide, alpha linking / PDB classification: ATOMS / Three letter code: XXM / Ideal coordinates details: Corina / Model coordinates PDB-ID: 5IBQ
History
Create componentFeb 24, 2016
Initial releaseApr 20, 2016
Other modificationAug 12, 2019
Other modificationDec 19, 2019
Other modificationJul 3, 2020
Modify nameJul 17, 2020
Modify synonymsJul 17, 2020
Modify atom idJul 17, 2020
Modify component atom idJul 17, 2020
External linksUniChem / ChemSpider / Nikkaji / 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 12.01OCC1(C(C(OC1)O)O)O
CACTVS 3.385OC[C]1(O)CO[CH](O)[CH]1O
OpenEye OEToolkits 2.0.4C1C(C(C(O1)O)O)(CO)O

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SMILES CANONICAL

CACTVS 3.385OC[C@@]1(O)CO[C@H](O)[C@@H]1O
OpenEye OEToolkits 2.0.4C1[C@@]([C@H]([C@H](O1)O)O)(CO)O

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InChI

InChI 1.03InChI=1S/C5H10O5/c6-1-5(9)2-10-4(8)3(5)7/h3-4,6-9H,1-2H2/t3-,4-,5+/m0/s1

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InChIKey

InChI 1.03ASNHGEVAWNWCRQ-VAYJURFESA-N

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SYSTEMATIC NAME

ACDLabs 12.01(2S,3R,4R)-4-(hydroxymethyl)oxolane-2,3,4-triol
OpenEye OEToolkits 2.0.4(2~{S},3~{R},4~{R})-4-(hydroxymethyl)oxolane-2,3,4-triol

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CONDENSED IUPAC CARBOHYDRATE SYMBOL

GMML 1.0DApia

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COMMON NAME

GMML 1.0a-D-erythrofuranose

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SNFG CARBOHYDRATE SYMBOL

GMML 1.0Api

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PDB entries

Showing all 1 items

PDB-5ibq:
Crystal structure of an ABC solute binding protein from Rhizobium etli CFN 42 (RHE_PF00037,TARGET EFI-511357) in complex with alpha-D-apiose

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