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PHD : Summary
Code
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PHD
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One-letter code
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D
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Molecule name
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ASPARTYL PHOSPHATE
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Systematic names
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Formula
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C4 H8 N O7 P
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Formal charge
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0
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Molecular weight
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213.083 Da
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SMILES
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Type | Program | Version | Descriptor |
SMILES
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ACDLabs |
10.04 |
O=C(OP(=O)(O)O)CC(C(=O)O)N |
SMILES
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CACTVS |
3.341 |
N[CH](CC(=O)O[P](O)(O)=O)C(O)=O |
SMILES
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OpenEye OEToolkits |
1.5.0 |
C(C(C(=O)O)N)C(=O)OP(=O)(O)O |
Canonical SMILES
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CACTVS |
3.341 |
N[C@@H](CC(=O)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)N)C(=O)OP(=O)(O)O |
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IUPAC InChI | InChI=1S/C4H8NO7P/c5-2(4(7)8)1-3(6)12-13(9,10)11/h2H,1,5H2,(H,7,8)(H2,9,10,11)/t2-/m0/s1 |
IUPAC InChI key | IXZNKTPIYKDIGG-REOHCLBHSA-N |
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wwPDB Information |
Atom count
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21 (13 without Hydrogen)
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Polymer type
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Amino Acid
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Type description
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L-PEPTIDE LINKING
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Type code
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ATOMP
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Is modified
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Yes
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Standard parent
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ASP
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Defined at
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1999-10-06
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Last modified at
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2023-11-03
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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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