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SLA : Summary
Code ![](/pdbe/static/images/help.png)
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SLA
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One-letter code ![](/pdbe/static/images/help.png)
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X
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Molecule name ![](/pdbe/static/images/help.png)
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Omuralide, open form
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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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C10 H17 N O4
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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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215.246 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 |
O=CC1(NC(=O)C(C1O)C)C(O)C(C)C |
SMILES
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CACTVS |
3.385 |
CC(C)[CH](O)[C]1(NC(=O)[CH](C)[CH]1O)C=O |
SMILES
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OpenEye OEToolkits |
1.7.6 |
CC1C(C(NC1=O)(C=O)C(C(C)C)O)O |
Canonical SMILES
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CACTVS |
3.385 |
CC(C)[C@H](O)[C@]1(NC(=O)[C@H](C)[C@@H]1O)C=O |
Canonical SMILES
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OpenEye OEToolkits |
1.7.6 |
C[C@@H]1[C@@H]([C@@](NC1=O)(C=O)[C@H](C(C)C)O)O |
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IUPAC InChI ![](/pdbe/static/images/help.png) | InChI=1S/C10H17NO4/c1-5(2)7(13)10(4-12)8(14)6(3)9(15)11-10/h4-8,13-14H,1-3H3,(H,11,15)/t6-,7+,8+,10-/m1/s1 |
IUPAC InChI key ![](/pdbe/static/images/help.png) | NREVXJAQSWMFJZ-CHIQAWFVSA-N |
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wwPDB Information |
Atom count ![](/pdbe/static/images/help.png)
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32 (15 without Hydrogen)
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Polymer type ![](/pdbe/static/images/help.png)
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Bound ligand
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Type description ![](/pdbe/static/images/help.png)
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NON-POLYMER
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Type code ![](/pdbe/static/images/help.png)
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HETAIN
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Is modified ![](/pdbe/static/images/help.png)
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No
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Standard parent ![](/pdbe/static/images/help.png)
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Not Assigned
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Defined at ![](/pdbe/static/images/help.png)
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2011-06-04
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Last modified at ![](/pdbe/static/images/help.png)
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2020-06-17
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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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