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E7Y : Summary
Code
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E7Y
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One-letter code
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X
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Molecule name
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(5Z,8Z,11Z,14Z)-N-(2-hydroxyethyl)icosa-5,8,11,14-tetraenamide
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Systematic names
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Formula
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C22 H37 N O2
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Formal charge
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0
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Molecular weight
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347.535 Da
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SMILES
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Type | Program | Version | Descriptor |
SMILES
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ACDLabs |
12.01 |
C(=O)(NCCO)CCC[C@H]=CC\C=C/C[C@H]=CC[C@H]=CCCCCC |
SMILES
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CACTVS |
3.385 |
CCCCCC=CCC=CCC=CCC=CCCCC(=O)NCCO |
SMILES
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OpenEye OEToolkits |
2.0.6 |
CCCCCC=CCC=CCC=CCC=CCCCC(=O)NCCO |
Canonical SMILES
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CACTVS |
3.385 |
CCCCC\C=C/C/C=C\C\C=C/C\C=C/CCCC(=O)NCCO |
Canonical SMILES
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OpenEye OEToolkits |
2.0.6 |
CCCCC/C=C\C/C=C\C/C=C\C/C=C\CCCC(=O)NCCO |
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IUPAC InChI | InChI=1S/C22H37NO2/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-22(25)23-20-21-24/h6-7,9-10,12-13,15-16,24H,2-5,8,11,14,17-21H2,1H3,(H,23,25)/b7-6-,10-9-,13-12-,16-15- |
IUPAC InChI key | LGEQQWMQCRIYKG-DOFZRALJSA-N |
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wwPDB Information |
Atom count
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62 (25 without Hydrogen)
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Polymer type
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Bound ligand
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Type description
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NON-POLYMER
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Type code
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HETAIN
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Is modified
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No
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Standard parent
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Not Assigned
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Defined at
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2017-12-07
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Last modified at
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2020-06-17
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Status
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Released
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Obsoleted
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Not Assigned
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