Chemical Components in the PDB

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PDBeChem : Molecule Descriptors

 Molecule : G3P    

Encodings of molecule in descriptor strings

RecordNameProgramVersionName
1 InChI InChI 1.03 InChI=1S/C3H9O6P/c4-1-3(5)2-9-10(6,7)8/h3-5H,1-2H2,(H2,6,7,8)/t3-/m1/s1
2 InChIKey InChI 1.03 AWUCVROLDVIAJX-GSVOUGTGSA-N
3 SMILES ACDLabs 12.01 O=P(OCC(O)CO)(O)O
4 SMILES CACTVS 3.385 OC[CH](O)CO[P](O)(O)=O
5 SMILES OpenEye OEToolkits 1.7.6 C(C(COP(=O)(O)O)O)O
6 Canonical SMILES CACTVS 3.385 OC[C@@H](O)CO[P](O)(O)=O
7 Canonical SMILES OpenEye OEToolkits 1.7.6 C([C@H](COP(=O)(O)O)O)O