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VIO : Summary
Code
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VIO
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One-letter code
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X
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Molecule name
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N5-(1-IMINO-3-BUTENYL)-L-ORNITHINE
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Systematic names
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Formula
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C9 H20 N3 O2
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Formal charge
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1
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Molecular weight
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202.274 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)CCCN/C(=[NH2+])CCC |
SMILES
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CACTVS |
3.341 |
CCCC(=[NH2+])NCCC[CH](N)C(O)=O |
SMILES
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OpenEye OEToolkits |
1.5.0 |
CCCC(=[NH2+])NCCCC(C(=O)O)N |
Canonical SMILES
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CACTVS |
3.341 |
CCCC(=[NH2+])NCCC[C@H](N)C(O)=O |
Canonical SMILES
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OpenEye OEToolkits |
1.5.0 |
CCCC(=[NH2+])NCCC[C@@H](C(=O)O)N |
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IUPAC InChI | InChI=1S/C9H19N3O2/c1-2-4-8(11)12-6-3-5-7(10)9(13)14/h7H,2-6,10H2,1H3,(H2,11,12)(H,13,14)/p+1/t7-/m0/s1 |
IUPAC InChI key | KRILJVOCVSUPMA-ZETCQYMHSA-O |
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wwPDB Information |
Atom count
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34 (14 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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2002-09-19
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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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