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XBG : Summary
Code ![](/pdbe/static/images/help.png)
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XBG
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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,3AS,6AS)-OCTAHYDROCYCLOPENTA[B]PYRROLE-2-CARBOXYLIC-ACID
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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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C8 H13 N O2
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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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155.194 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(O)C1NC2CCCC2C1 |
SMILES
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CACTVS |
3.352 |
OC(=O)[CH]1C[CH]2CCC[CH]2N1 |
SMILES
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OpenEye OEToolkits |
1.6.1 |
C1CC2CC(NC2C1)C(=O)O |
Canonical SMILES
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CACTVS |
3.352 |
OC(=O)[C@@H]1C[C@@H]2CCC[C@@H]2N1 |
Canonical SMILES
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OpenEye OEToolkits |
1.6.1 |
C1C[C@H]2C[C@H](N[C@H]2C1)C(=O)O |
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IUPAC InChI ![](/pdbe/static/images/help.png) | InChI=1S/C8H13NO2/c10-8(11)7-4-5-2-1-3-6(5)9-7/h5-7,9H,1-4H2,(H,10,11)/t5-,6-,7-/m0/s1 |
IUPAC InChI key ![](/pdbe/static/images/help.png) | OQHKEWIEKYQINX-ACZMJKKPSA-N |
Is part of ![](/pdbe/static/images/help.png) |
X92
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wwPDB Information |
Atom count ![](/pdbe/static/images/help.png)
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24 (11 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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2010-09-27
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Last modified at ![](/pdbe/static/images/help.png)
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2012-01-13
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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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