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GGB : Summary
Code
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GGB
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One-letter code
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X
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Molecule name
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L-CANAVANINE
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Synonyms
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L-2-AMINO-4-(GUANIDINOOXY)BUTYRIC ACID
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Systematic names
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Formula
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C5 H12 N4 O3
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Formal charge
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0
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Molecular weight
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176.174 Da
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SMILES
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Type | Program | Version | Descriptor |
SMILES
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ACDLabs |
10.04 |
O=C(O)C(N)CCONC(=[N@H])N |
SMILES
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CACTVS |
3.341 |
N[CH](CCONC(N)=N)C(O)=O |
SMILES
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OpenEye OEToolkits |
1.5.0 |
[H]N=C(N)NOCCC(C(=O)O)N |
Canonical SMILES
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CACTVS |
3.341 |
N[C@@H](CCONC(N)=N)C(O)=O |
Canonical SMILES
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OpenEye OEToolkits |
1.5.0 |
[H]/N=C(\N)/NOCC[C@@H](C(=O)O)N |
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IUPAC InChI | InChI=1S/C5H12N4O3/c6-3(4(10)11)1-2-12-9-5(7)8/h3H,1-2,6H2,(H,10,11)(H4,7,8,9)/t3-/m0/s1 |
IUPAC InChI key | FSBIGDSBMBYOPN-VKHMYHEASA-N |
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wwPDB Information |
Atom count
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24 (12 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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No
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Standard parent
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Not Assigned
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Defined at
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1999-07-27
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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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