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AMU : Summary
Code
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AMU
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One-letter code
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X
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Molecule name
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N-acetyl-beta-muramic acid
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Synonyms
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N-acetyl-muramic acid
BETA-N-ACETYLMURAMIC ACID
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Systematic names
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Formula
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C11 H19 N O8
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Formal charge
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0
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Molecular weight
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293.27 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(OC1C(O)C(OC(O)C1NC(=O)C)CO)C |
SMILES
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CACTVS |
3.341 |
C[CH](O[CH]1[CH](O)[CH](CO)O[CH](O)[CH]1NC(C)=O)C(O)=O |
SMILES
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OpenEye OEToolkits |
1.5.0 |
CC(C(=O)O)OC1C(C(OC(C1O)CO)O)NC(=O)C |
Canonical SMILES
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CACTVS |
3.341 |
C[C@@H](O[C@H]1[C@H](O)[C@@H](CO)O[C@@H](O)[C@@H]1NC(C)=O)C(O)=O |
Canonical SMILES
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OpenEye OEToolkits |
1.5.0 |
C[C@H](C(=O)O)O[C@@H]1[C@H]([C@@H](O[C@@H]([C@H]1O)CO)O)NC(=O)C |
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IUPAC InChI | InChI=1S/C11H19NO8/c1-4(10(16)17)19-9-7(12-5(2)14)11(18)20-6(3-13)8(9)15/h4,6-9,11,13,15,18H,3H2,1-2H3,(H,12,14)(H,16,17)/t4-,6-,7-,8-,9-,11-/m1/s1 |
IUPAC InChI key | MNLRQHMNZILYPY-YVNCZSHWSA-N |
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wwPDB Information |
Atom count
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39 (20 without Hydrogen)
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Polymer type
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Saccharide
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Type description
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D-saccharide, beta linking
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Type code
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ATOMS
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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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1999-07-08
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Last modified at
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2020-07-17
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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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