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- ChemComp-YFP: 1-palmitoyl-2-oleoyl-sn-glycero-3-phosphoglycerol -

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Open data


ID or keywords:

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Basic information

EntryDatabase: PDB chemical components / ID: YFP
NameName: 1-palmitoyl-2-oleoyl-sn-glycero-3-phosphoglycerol

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Chemical information

Composition
Formula: C40H77O10P / Number of atoms: 128 / Formula weight: 749.007 / Formal charge: 0
Others

7lpa

Type: non-polymer / PDB classification: HETAIN / Three letter code: YFP / Ideal coordinates details: Corina / Model coordinates PDB-ID: 7LPA
History
Create componentFeb 25, 2021
Other modificationFeb 26, 2021
Initial releaseJul 28, 2021
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

ACDLabs 12.01O=C(OC(COP(O)(=O)OCC(O)CO)COC(=O)CCCCCCCCCCCCCCC)CCCCCCC\C=C\CCCCCCCC
CACTVS 3.385CCCCCCCCCCCCCCCC(=O)OC[CH](CO[P](O)(=O)OCC(O)CO)OC(=O)CCCCCCCC=CCCCCCCCC
OpenEye OEToolkits 2.0.7CCCCCCCCCCCCCCCC(=O)OCC(COP(=O)(O)OCC(CO)O)OC(=O)CCCCCCCC=CCCCCCCCC

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SMILES CANONICAL

CACTVS 3.385CCCCCCCCCCCCCCCC(=O)OC[C@H](CO[P](O)(=O)OCC(O)CO)OC(=O)CCCCCCCC=CCCCCCCCC
OpenEye OEToolkits 2.0.7CCCCCCCCCCCCCCCC(=O)OC[C@H](COP(=O)(O)OCC(CO)O)OC(=O)CCCCCCCC=CCCCCCCCC

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InChI

InChI 1.03InChI=1S/C40H77O10P/c1-3-5-7-9-11-13-15-17-18-20-22-24-26-28-30-32-40(44)50-38(36-49-51(45,46)48-34-37(42)33-41)35-47-39(43)31-29-27-25-23-21-19-16-14-12-10-8-6-4-2/h17-18,37-38,41-42H,3-16,19-36H2,1-2H3,(H,45,46)/t37?,38-/m1/s1

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InChIKey

InChI 1.03PAZGBAOHGQRCBP-YWIOZPJLSA-N

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SYSTEMATIC NAME

ACDLabs 12.01(19R,22R)-22,25,26-trihydroxy-16,22-dioxo-17,21,23-trioxa-22lambda~5~-phosphahexacosan-19-yl octadec-9-enoate
OpenEye OEToolkits 2.0.7[(2~{R})-1-[2,3-bis(oxidanyl)propoxy-oxidanyl-phosphoryl]oxy-3-hexadecanoyloxy-propan-2-yl] octadec-9-enoate

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PDB entries

Showing all 5 items

PDB-7lp9:
Cryo-EM structure of full-length TRPV1 at 4 degrees Celsius

PDB-7lpa:
Cryo-EM structure of full-length TRPV1 with capsaicin at 4 degrees Celsius

PDB-7lpb:
Cryo-EM structure of full-length TRPV1 with capsaicin at 25 degrees Celsius

PDB-7lpc:
Cryo-EM structure of full-length TRPV1 at 48 degrees Celsius

PDB-7rqu:
Cryo-EM structure of the full-length TRPV1 with RTx at 4 degrees Celsius, in a closed state, class I

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