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J9Y : Summary
Code ![](/pdbe/static/images/help.png)
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J9Y
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One-letter code ![](/pdbe/static/images/help.png)
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R
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Molecule name ![](/pdbe/static/images/help.png)
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(2S)-2-amino-5-{[(E)-amino(methylamino)methylidene](hydroxy)azaniumyl}pentanoate
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Systematic names ![](/pdbe/static/images/help.png)
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Formula ![](/pdbe/static/images/help.png)
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C7 H16 N4 O3
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Formal charge ![](/pdbe/static/images/help.png)
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0
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Molecular weight ![](/pdbe/static/images/help.png)
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204.227 Da
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SMILES ![](/pdbe/static/images/help.png)
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Type | Program | Version | Descriptor |
SMILES
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ACDLabs |
12.01 |
NC(CCC/[N+](O)=C(/N)NC)C([O-])=O |
SMILES
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CACTVS |
3.385 |
CNC(N)=[N+](O)CCC[CH](N)C([O-])=O |
SMILES
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OpenEye OEToolkits |
2.0.6 |
CNC(=[N+](CCCC(C(=O)[O-])N)O)N |
Canonical SMILES
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CACTVS |
3.385 |
CN\C(N)=[N+](O)/CCC[C@H](N)C([O-])=O |
Canonical SMILES
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OpenEye OEToolkits |
2.0.6 |
CN/C(=[N+](\CCC[C@@H](C(=O)[O-])N)/O)/N |
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IUPAC InChI ![](/pdbe/static/images/help.png) | InChI=1S/C7H16N4O3/c1-10-7(9)11(14)4-2-3-5(8)6(12)13/h5,14H,2-4,8H2,1H3,(H3,9,10,12,13)/t5-/m0/s1 |
IUPAC InChI key ![](/pdbe/static/images/help.png) | AZWNHVHYFWVYQE-YFKPBYRVSA-N |
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wwPDB Information |
Atom count ![](/pdbe/static/images/help.png)
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30 (14 without Hydrogen)
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Polymer type ![](/pdbe/static/images/help.png)
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Amino Acid
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Type description ![](/pdbe/static/images/help.png)
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L-peptide linking
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Type code ![](/pdbe/static/images/help.png)
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ATOMP
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Is modified ![](/pdbe/static/images/help.png)
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Yes
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Standard parent ![](/pdbe/static/images/help.png)
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ARG
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Defined at ![](/pdbe/static/images/help.png)
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2018-08-27
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Last modified at ![](/pdbe/static/images/help.png)
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2019-02-01
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Status ![](/pdbe/static/images/help.png)
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Released
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Obsoleted ![](/pdbe/static/images/help.png)
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Not Assigned
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