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- ChemComp-8Z9: Sapienic acid -

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Open data


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Basic information

EntryDatabase: PDB chemical components / ID: 8Z9
NameName: Sapienic acid

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Chemical information

Composition
Formula: C16H30O2 / Number of atoms: 48 / Formula weight: 254.408 / Formal charge: 0
Others

7sb3

Type: non-polymer / PDB classification: HETAIN / Three letter code: 8Z9 / Ideal coordinates details: Corina / Model coordinates PDB-ID: 7SB3
History
Create componentOct 4, 2021
Initial releaseMay 4, 2022
External linksUniChem / ChemSpider / Brenda / ChEBI / ChemicalBook / LipidMaps / Metabolights / Nikkaji / PubChem / PubChem_TPharma / SureChEMBL / 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

ACDLabs 12.01O=C(O)CCCC\C=C/CCCCCCCCC
CACTVS 3.385CCCCCCCCCC=CCCCCC(O)=O
OpenEye OEToolkits 2.0.7CCCCCCCCCC=CCCCCC(=O)O

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SMILES CANONICAL

CACTVS 3.385CCCCCCCCC\C=C/CCCCC(O)=O
OpenEye OEToolkits 2.0.7CCCCCCCCC/C=C\CCCCC(=O)O

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InChI

InChI 1.03InChI=1S/C16H30O2/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16(17)18/h10-11H,2-9,12-15H2,1H3,(H,17,18)/b11-10-

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InChIKey

InChI 1.03NNNVXFKZMRGJPM-KHPPLWFESA-N

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SYSTEMATIC NAME

ACDLabs 12.01(6Z)-hexadec-6-enoic acid
OpenEye OEToolkits 2.0.7(~{Z})-hexadec-6-enoic acid

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PDB entries

Showing all 6 items

PDB-7sb3:
Structure of OC43 spike in complex with polyclonal Fab1 (Donor 269)

PDB-7sb4:
Structure of OC43 spike in complex with polyclonal Fab2 (Donor 1412)

PDB-7sbv:
Structure of OC43 spike in complex with polyclonal Fab4 (Donor 269)

PDB-7sbw:
Structure of OC43 spike in complex with polyclonal Fab5 (Donor 1051)

PDB-7sbx:
Structure of OC43 spike in complex with polyclonal Fab6 (Donor 1051)

PDB-7sby:
Structure of OC43 spike in complex with polyclonal Fab7 (Donor 269)

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