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- ChemComp-NER: (15E)-TETRACOS-15-ENOIC ACID -

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Basic information

EntryDatabase: PDB chemical components / ID: NER
NameName: (15E)-tetracos-15-enoic acid / Synonyms: CIS-15-TETRACOSENOIC ACID

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Chemical information

Composition
Formula: C24H46O2 / Number of atoms: 72 / Formula weight: 366.621 / Formal charge: 0
OthersType: NON-POLYMER / PDB classification: HETAIN / Three letter code: NER
History
Create componentNov 16, 2005
Modify descriptorJun 4, 2011
Modify synonymsMar 1, 2021
External linksUniChem / ChemSpider / Brenda / ChEBI / ChEMBL / ChemicalBook / HMDB / KEGG_Ligand / LipidMaps / Metabolights / NMRShiftDB / Nikkaji / PubChem / PubChem_TPharma / SureChEMBL / ZINC / Wikipedia search / Google search

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Structure visualization

Structure viewerMolecule:
MolmilJmol/JSmol

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Details

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SMILES

ACDLabs 10.04O=C(O)CCCCCCCCCCCCC\C=C/CCCCCCCC
CACTVS 3.341CCCCCCCCC=CCCCCCCCCCCCCCC(O)=O
OpenEye OEToolkits 1.5.0CCCCCCCCC=CCCCCCCCCCCCCCC(=O)O

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SMILES CANONICAL

CACTVS 3.341CCCCCCCC\C=C/CCCCCCCCCCCCCC(O)=O
OpenEye OEToolkits 1.5.0CCCCCCCC\C=C/CCCCCCCCCCCCCC(=O)O

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InChI

InChI 1.03InChI=1S/C24H46O2/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-20-21-22-23-24(25)26/h9-10H,2-8,11-23H2,1H3,(H,25,26)/b10-9-

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InChIKey

InChI 1.03GWHCXVQVJPWHRF-KTKRTIGZSA-N

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SYSTEMATIC NAME

ACDLabs 10.04(15Z)-tetracos-15-enoic acid
OpenEye OEToolkits 1.5.0(Z)-tetracos-15-enoic acid

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PDB entries

Showing all 3 items

PDB-2euk:
Crystal Structure of Human Glycolipid Transfer Protein complexed with 24:1 Galactosylceramide

PDB-5urv:
Crystal structure of Frizzled 7 CRD in complex with C24 fatty acid

PDB-7wf0:
The 0.83 angstrom X-ray structure of the human heart fatty acid-binding protein complexed with nervonic acid

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