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- ChemComp-82T: [(2R)-3-[2-azanylethoxy(oxidanyl)phosphoryl]oxy-2-oxidanyl-propyl... -

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ID or keywords:

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Basic information

EntryDatabase: PDB chemical components / ID: 82T
NameName: [(2R)-3-[2-azanylethoxy(oxidanyl)phosphoryl]oxy-2-oxidanyl-propyl] octadecanoate

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Chemical information

Composition
Formula: C23H48NO7P / Number of atoms: 80 / Formula weight: 481.603 / Formal charge: 0
Others

7vwc

Type: non-polymer / PDB classification: HETAIN / Three letter code: 82T / Ideal coordinates details: Corina / Model coordinates PDB-ID: 7VWC
History
Create componentNov 16, 2021
Modify coordinatesDec 2, 2021
Modify nameDec 2, 2021
Initial releaseMay 18, 2022
External linksUniChem / ChemSpider / ChEBI / ChemicalBook / HMDB / LipidMaps / Metabolights / Nikkaji / PubChem / Rhea / SwissLipids / 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

CACTVS 3.385CCCCCCCCCCCCCCCCCC(=O)OC[CH](O)CO[P](O)(=O)OCCN
OpenEye OEToolkits 2.0.7CCCCCCCCCCCCCCCCCC(=O)OCC(COP(=O)(O)OCCN)O

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SMILES CANONICAL

CACTVS 3.385CCCCCCCCCCCCCCCCCC(=O)OC[C@@H](O)CO[P](O)(=O)OCCN
OpenEye OEToolkits 2.0.7CCCCCCCCCCCCCCCCCC(=O)OC[C@H](COP(=O)(O)OCCN)O

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InChI

InChI 1.03InChI=1S/C23H48NO7P/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-23(26)29-20-22(25)21-31-32(27,28)30-19-18-24/h22,25H,2-21,24H2,1H3,(H,27,28)/t22-/m1/s1

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InChIKey

InChI 1.03BBYWOYAFBUOUFP-JOCHJYFZSA-N

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PDB entries

Showing all 2 items

PDB-7vwc:
Cryo-EM structure of human very long-chain fatty acid ABC transporter ABCD1

PDB-8u53:
Mechanically activated ion channel OSCA3.1 in nanodiscs

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