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MMS : Summary
Code
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MMS
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One-letter code
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X
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Molecule name
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MIMOSINE
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Synonyms
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3-HYDROXY-4-OXO-1(4H)-PYRIDINEALANINE
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Systematic names
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Formula
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C8 H10 N2 O4
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Formal charge
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0
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Molecular weight
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198.176 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)CN1C=CC(=O)C(O)=C1 |
SMILES
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CACTVS |
3.341 |
N[CH](CN1C=CC(=O)C(=C1)O)C(O)=O |
SMILES
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OpenEye OEToolkits |
1.5.0 |
C1=CN(C=C(C1=O)O)CC(C(=O)O)N |
Canonical SMILES
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CACTVS |
3.341 |
N[C@@H](CN1C=CC(=O)C(=C1)O)C(O)=O |
Canonical SMILES
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OpenEye OEToolkits |
1.5.0 |
C1=CN(C=C(C1=O)O)C[C@@H](C(=O)O)N |
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IUPAC InChI | InChI=1S/C8H10N2O4/c9-5(8(13)14)3-10-2-1-6(11)7(12)4-10/h1-2,4-5,12H,3,9H2,(H,13,14)/t5-/m0/s1 |
IUPAC InChI key | WZNJWVWKTVETCG-YFKPBYRVSA-N |
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wwPDB Information |
Atom count
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24 (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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2002-08-22
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Last modified at
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2020-06-17
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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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