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- ChemComp-G3H: GLYCERALDEHYDE-3-PHOSPHATE -

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Basic information

EntryDatabase: PDB chemical components / ID: G3H
NameName: glyceraldehyde-3-phosphate

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Chemical information

Composition
Formula: C3H7O6P / Number of atoms: 17 / Formula weight: 170.058 / Formal charge: 0
OthersType: NON-POLYMER / PDB classification: HETAIN / Three letter code: G3H / Ideal coordinates details: Corina
History
Create componentJul 8, 1999
Modify leaving atom flagFeb 18, 2011
Modify descriptorJun 4, 2011
External linksUniChem / ChemSpider / BindingDB / Brenda / ChEBI / ChEMBL / CompTox / DrugBank / HMDB / KEGG_Ligand / Metabolights / NMRShiftDB / Nikkaji / PubChem / PubChem_TPharma / SureChEMBL / 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(OCC(O)C=O)(O)O
CACTVS 3.370O[CH](CO[P](O)(O)=O)C=O
OpenEye OEToolkits 1.7.0C(C(C=O)O)OP(=O)(O)O

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SMILES CANONICAL

CACTVS 3.370O[C@H](CO[P](O)(O)=O)C=O
OpenEye OEToolkits 1.7.0C([C@H](C=O)O)OP(=O)(O)O

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InChI

InChI 1.03InChI=1S/C3H7O6P/c4-1-3(5)2-9-10(6,7)8/h1,3,5H,2H2,(H2,6,7,8)/t3-/m0/s1

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InChIKey

InChI 1.03LXJXRIRHZLFYRP-VKHMYHEASA-N

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SYSTEMATIC NAME

ACDLabs 12.01(2R)-2-hydroxy-3-oxopropyl dihydrogen phosphate
OpenEye OEToolkits 1.7.0[(2R)-2-hydroxy-3-oxo-propyl] dihydrogen phosphate

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