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LLP : Summary
Code ![](/pdbe/static/images/help.png)
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LLP
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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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(2S)-2-amino-6-[[3-hydroxy-2-methyl-5-(phosphonooxymethyl)pyridin-4-yl]methylideneamino]hexanoic 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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C14 H22 N3 O7 P
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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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375.314 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 |
n1c(C)c(O)c(\C=N\CCCCC(N)C(=O)O)c(c1)COP(=O)(O)O |
SMILES
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CACTVS |
3.385 |
Cc1ncc(CO[P](O)(O)=O)c(C=NCCCC[CH](N)C(O)=O)c1O |
SMILES
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OpenEye OEToolkits |
1.7.6 |
Cc1c(c(c(cn1)COP(=O)(O)O)C=NCCCCC(C(=O)O)N)O |
Canonical SMILES
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CACTVS |
3.385 |
Cc1ncc(CO[P](O)(O)=O)c(C=NCCCC[C@H](N)C(O)=O)c1O |
Canonical SMILES
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OpenEye OEToolkits |
1.7.6 |
Cc1c(c(c(cn1)COP(=O)(O)O)/C=N/CCCCC(C(=O)O)N)O |
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IUPAC InChI ![](/pdbe/static/images/help.png) | InChI=1S/C14H22N3O7P/c1-9-13(18)11(10(6-17-9)8-24-25(21,22)23)7-16-5-3-2-4-12(15)14(19)20/h6-7,12,18H,2-5,8,15H2,1H3,(H,19,20)(H2,21,22,23)/b16-7+/t12-/m0/s1 |
IUPAC InChI key ![](/pdbe/static/images/help.png) | YQSOQJORMNSDJL-QFULYMJESA-N |
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wwPDB Information |
Atom count ![](/pdbe/static/images/help.png)
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47 (25 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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