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- ChemComp-O18: O-palmitoleoyl serine -

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Basic information

EntryDatabase: PDB chemical components / ID: O18
NameName: O-palmitoleoyl serine
Synonyms: (2S)-2-azanyl-3-[(Z)-hexadec-9-enoyl]oxy-propanoic acid

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Chemical information

Composition
Formula: C19H35NO4 / Number of atoms: 59 / Formula weight: 341.486 / Formal charge: 0
Others

6xtz

SER

Type: non-polymer / PDB classification: HETAIN / Three letter code: O18 / Ideal coordinates details: Corina / Model coordinates PDB-ID: 6XTZ / Parent comp.: SER
History
Create componentJan 17, 2020
Initial releaseJul 29, 2020
Modify descriptorSep 18, 2023
Modify leaving atom flagSep 18, 2023
External linksUniChem / ChemSpider / Wikipedia search / Google search

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Structure visualization

Structure viewerMolecule:
MolmilJmol/JSmol

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Details

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SMILES

CACTVS 3.385CCCCCCC=CCCCCCCCC(=O)OC[CH](N)C(O)=O
OpenEye OEToolkits 2.0.7CCCCCCC=CCCCCCCCC(=O)OCC(C(=O)O)N

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SMILES CANONICAL

CACTVS 3.385CCCCCC\C=C/CCCCCCCC(=O)OC[C@H](N)C(O)=O
OpenEye OEToolkits 2.0.7CCCCCC/C=C\CCCCCCCC(=O)OC[C@@H](C(=O)O)N

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InChI

InChI 1.06InChI=1S/C19H35NO4/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-18(21)24-16-17(20)19(22)23/h7-8,17H,2-6,9-16,20H2,1H3,(H,22,23)/b8-7-/t17-/m0/s1

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InChIKey

InChI 1.06BEQLUQLZPXGDLC-QWPQOLDESA-N

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PDB entries

Showing all 1 items

PDB-6xtz:
Structure of Dally-like protein in complex with O-palmitoleoyl serine

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