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JOD : Summary
Code ![](/pdbe/static/images/help.png)
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JOD
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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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(5S,8R,8aS)-8-hydroxyhexahydro-3H-5,8-ethano[1,3]oxazolo[3,4-a]pyridin-3-one
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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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C9 H13 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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183.204 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 |
C2C1C3(O)CCC(N1C(O2)=O)CC3 |
SMILES
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CACTVS |
3.385 |
OC12CCC(CC1)N3[CH]2COC3=O |
SMILES
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OpenEye OEToolkits |
2.0.6 |
C1CC2(CCC1N3C2COC3=O)O |
Canonical SMILES
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CACTVS |
3.385 |
OC12CCC(CC1)N3[C@H]2COC3=O |
Canonical SMILES
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OpenEye OEToolkits |
2.0.6 |
C1CC2(CCC1N3[C@H]2COC3=O)O |
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IUPAC InChI ![](/pdbe/static/images/help.png) | InChI=1S/C9H13NO3/c11-8-10-6-1-3-9(12,4-2-6)7(10)5-13-8/h6-7,12H,1-5H2/t6-,7-,9-/m0/s1 |
IUPAC InChI key ![](/pdbe/static/images/help.png) | MSUGLWGWBLRILS-ZKWXMUAHSA-N |
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wwPDB Information |
Atom count ![](/pdbe/static/images/help.png)
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26 (13 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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2018-09-12
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Last modified at ![](/pdbe/static/images/help.png)
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2018-10-05
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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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