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- ChemComp-VF0: (2R)-2-azanyl-3-[oxidanyl-[(2R)-2-oxidanyl-3-tetradec-9-enoyloxy-... -

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Basic information

EntryDatabase: PDB chemical components / ID: VF0
NameName: (2R)-2-azanyl-3-[oxidanyl-[(2R)-2-oxidanyl-3-tetradec-9-enoyloxy-propoxy]phosphoryl]oxy-propanoic acid

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Chemical information

Composition
Formula: C20H38NO9P / Number of atoms: 69 / Formula weight: 467.491 / Formal charge: 0
Others

8k4n

Type: non-polymer / PDB classification: HETAIN / Three letter code: VF0 / Ideal coordinates details: Corina / Model coordinates PDB-ID: 8K4N
History
Create componentJul 21, 2023
Initial releaseOct 25, 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 3.385CCCCC=CCCCCCCCC(=O)OC[CH](O)CO[P](O)(=O)OC[CH](N)C(O)=O
OpenEye OEToolkits 2.0.7CCCCC=CCCCCCCCC(=O)OCC(COP(=O)(O)OCC(C(=O)O)N)O

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SMILES CANONICAL

CACTVS 3.385CCCC\C=C/CCCCCCCC(=O)OC[C@@H](O)CO[P](O)(=O)OC[C@@H](N)C(O)=O
OpenEye OEToolkits 2.0.7CCCCC=CCCCCCCCC(=O)OC[C@H](COP(=O)(O)OC[C@H](C(=O)O)N)O

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InChI

InChI 1.06InChI=1S/C20H38NO9P/c1-2-3-4-5-6-7-8-9-10-11-12-13-19(23)28-14-17(22)15-29-31(26,27)30-16-18(21)20(24)25/h5-6,17-18,22H,2-4,7-16,21H2,1H3,(H,24,25)(H,26,27)/t17-,18-/m1/s1

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InChIKey

InChI 1.06NPKANCOBLRPFQN-QZTJIDSGSA-N

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PDB entries

Showing all 1 items

PDB-8k4n:
Structure of GPR34-Gi complex

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