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2PG : Summary
Code
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2PG
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One-letter code
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X
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Molecule name
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2-PHOSPHOGLYCERIC ACID
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Systematic names
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Formula
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C3 H7 O7 P
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Formal charge
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0
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Molecular weight
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186.057 Da
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SMILES
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Type | Program | Version | Descriptor |
SMILES
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ACDLabs |
10.04 |
O=P(O)(O)OC(C(=O)O)CO |
SMILES
|
CACTVS |
3.341 |
OC[CH](O[P](O)(O)=O)C(O)=O |
SMILES
|
OpenEye OEToolkits |
1.5.0 |
C(C(C(=O)O)OP(=O)(O)O)O |
Canonical SMILES
|
CACTVS |
3.341 |
OC[C@@H](O[P](O)(O)=O)C(O)=O |
Canonical SMILES
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OpenEye OEToolkits |
1.5.0 |
C([C@H](C(=O)O)OP(=O)(O)O)O |
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IUPAC InChI | InChI=1S/C3H7O7P/c4-1-2(3(5)6)10-11(7,8)9/h2,4H,1H2,(H,5,6)(H2,7,8,9)/t2-/m1/s1 |
IUPAC InChI key | GXIURPTVHJPJLF-UWTATZPHSA-N |
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wwPDB Information |
Atom count
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18 (11 without Hydrogen)
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Polymer type
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Bound ligand
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Type description
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NON-POLYMER
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Type code
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HETAIN
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Is modified
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No
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Standard parent
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Not Assigned
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Defined at
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1999-07-08
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Last modified at
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2011-06-04
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Status
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Released
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Obsoleted
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Not Assigned
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