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- ChemComp-EPM: N-PALMITOYL-L-METHIONINE -

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Basic information

EntryDatabase: PDB chemical components / ID: EPM
NameName: N-palmitoyl-L-methionine

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Chemical information

Composition
Formula: C21H41NO3S / Number of atoms: 67 / Formula weight: 387.62 / Formal charge: 0
Others

1zo9

MET

Type: NON-POLYMER / PDB classification: HETAIN / Three letter code: EPM / Model coordinates PDB-ID: 1ZO9 / Parent comp.: MET
History
Create componentMay 23, 2005
Modify descriptorJun 4, 2011
External linksUniChem / ChemSpider / Brenda / ChEBI / LipidMaps / Nikkaji / PubChem / SureChEMBL / 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(NC(C(=O)O)CCSC)CCCCCCCCCCCCCCC
CACTVS 3.341CCCCCCCCCCCCCCCC(=O)N[CH](CCSC)C(O)=O
OpenEye OEToolkits 1.5.0CCCCCCCCCCCCCCCC(=O)NC(CCSC)C(=O)O

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SMILES CANONICAL

CACTVS 3.341CCCCCCCCCCCCCCCC(=O)N[C@@H](CCSC)C(O)=O
OpenEye OEToolkits 1.5.0CCCCCCCCCCCCCCCC(=O)N[C@@H](CCSC)C(=O)O

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InChI

InChI 1.03InChI=1S/C21H41NO3S/c1-3-4-5-6-7-8-9-10-11-12-13-14-15-16-20(23)22-19(21(24)25)17-18-26-2/h19H,3-18H2,1-2H3,(H,22,23)(H,24,25)/t19-/m0/s1

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InChIKey

InChI 1.03FCVASHHBGGKTGT-IBGZPJMESA-N

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SYSTEMATIC NAME

ACDLabs 10.04N-hexadecanoyl-L-methionine
OpenEye OEToolkits 1.5.0(2S)-2-(hexadecanoylamino)-4-methylsulfanyl-butanoic acid

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PDB entries

Showing all 1 items

PDB-1zo9:
Crystal Structure Of The Wild Type Heme Domain Of P450BM-3 with N-palmitoylmethionine

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