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API : Summary
Code ![](/pdbe/static/images/help.png)
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API
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One-letter code ![](/pdbe/static/images/help.png)
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K
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Molecule name ![](/pdbe/static/images/help.png)
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2,6-DIAMINOPIMELIC 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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C7 H14 N2 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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190.197 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=C(O)C(N)CCCC(C(=O)O)N |
SMILES
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CACTVS |
3.370 |
N[CH](CCC[CH](N)C(O)=O)C(O)=O |
SMILES
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OpenEye OEToolkits |
1.7.2 |
C(CC(C(=O)O)N)CC(C(=O)O)N |
Canonical SMILES
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CACTVS |
3.370 |
N[C@@H](CCC[C@@H](N)C(O)=O)C(O)=O |
Canonical SMILES
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OpenEye OEToolkits |
1.7.2 |
C(C[C@H](C(=O)O)N)C[C@@H](C(=O)O)N |
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IUPAC InChI ![](/pdbe/static/images/help.png) | InChI=1S/C7H14N2O4/c8-4(6(10)11)2-1-3-5(9)7(12)13/h4-5H,1-3,8-9H2,(H,10,11)(H,12,13)/t4-,5+ |
IUPAC InChI key ![](/pdbe/static/images/help.png) | GMKMEZVLHJARHF-SYDPRGILSA-N |
Is part of ![](/pdbe/static/images/help.png) |
J0J
, MHI
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wwPDB Information |
Atom count ![](/pdbe/static/images/help.png)
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27 (13 without Hydrogen)
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Polymer type ![](/pdbe/static/images/help.png)
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Amino Acid
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Type description ![](/pdbe/static/images/help.png)
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L-PEPTIDE LINKING
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Type code ![](/pdbe/static/images/help.png)
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ATOMP
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Is modified ![](/pdbe/static/images/help.png)
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Yes
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Standard parent ![](/pdbe/static/images/help.png)
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LYS
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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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2023-11-03
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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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