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CER : Summary
Code ![](/pdbe/static/images/help.png)
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CER
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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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(2S, 3R)-3-HYDROXY-4-OXO-7,10-TRANS,TRANS-DODECADIENAMIDE
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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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C12 H19 N 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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225.284 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 |
10.04 |
O=C(N)CC(O)C(=O)CC/C=C/C/C=C/C |
SMILES
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CACTVS |
3.341 |
CC=CCC=CCCC(=O)[CH](O)CC(N)=O |
SMILES
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OpenEye OEToolkits |
1.5.0 |
CC=CCC=CCCC(=O)C(CC(=O)N)O |
Canonical SMILES
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CACTVS |
3.341 |
C/C=C/C/C=C/CCC(=O)[C@@H](O)CC(N)=O |
Canonical SMILES
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OpenEye OEToolkits |
1.5.0 |
C\C=C\C\C=C\CCC(=O)[C@H](CC(=O)N)O |
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IUPAC InChI ![](/pdbe/static/images/help.png) | InChI=1S/C12H19NO3/c1-2-3-4-5-6-7-8-10(14)11(15)9-12(13)16/h2-3,5-6,11,15H,4,7-9H2,1H3,(H2,13,16)/b3-2+,6-5+/t11-/m0/s1 |
IUPAC InChI key ![](/pdbe/static/images/help.png) | QEPYZBPOTYDXNA-FECJWDPASA-N |
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wwPDB Information |
Atom count ![](/pdbe/static/images/help.png)
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35 (16 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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1999-07-08
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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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