(4Z)-17-hydroxy-16-oxodocosa-4,7,10,13,19-pentaenoic acid

C22H32O4 — CID 139619832

IUPAC(4Z)-17-hydroxy-16-oxodocosa-4,7,10,13,19-pentaenoic acid
SMILESCCC=CCC(O)C(=O)CC=CCC=CCC=CC/C=C\CCC(=O)O
InChIInChI=1S/C22H32O4/c1-2-3-14-17-20(23)21(24)18-15-12-10-8-6-4-5-7-9-11-13-16-19-22(25)26/h3,5-8,11-15,20,23H,2,4,9-10,16-19H2,1H3,(H,25,26)/b7-5?,8-6?,13-11-,14-3?,15-12?
InChIKeyDPEVNIYEQDUORG-HMYAJZJNSA-N
MW360.49 g/mol
LogP4.92
Rot. Bonds15

About (4Z)-17-hydroxy-16-oxodocosa-4,7,10,13,19-pentaenoic acid

(4Z)-17-hydroxy-16-oxodocosa-4,7,10,13,19-pentaenoic acid (PubChem CID 139619832) has the molecular formula C22H32O4 and a molecular weight of 360.49 g/mol. Its IUPAC name is (4Z)-17-hydroxy-16-oxodocosa-4,7,10,13,19-pentaenoic acid.

Molecular Properties

Compound Name(4Z)-17-hydroxy-16-oxodocosa-4,7,10,13,19-pentaenoic acid
PubChem CID139619832
Molecular FormulaC22H32O4
Molecular Weight360.49 g/mol
Exact Mass360.23
IUPAC Name(4Z)-17-hydroxy-16-oxodocosa-4,7,10,13,19-pentaenoic acid
SMILESCCC=CCC(O)C(=O)CC=CCC=CCC=CC/C=C\CCC(=O)O
InChIInChI=1S/C22H32O4/c1-2-3-14-17-20(23)21(24)18-15-12-10-8-6-4-5-7-9-11-13-16-19-22(25)26/h3,5-8,11-15,20,23H,2,4,9-10,16-19H2,1H3,(H,25,26)/b7-5?,8-6?,13-11-,14-3?,15-12?
InChIKeyDPEVNIYEQDUORG-HMYAJZJNSA-N
XLogP4.92
TPSA74.60 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds15
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500360.49
LogP ≤ 54.92
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Related Compounds

(5Z)-15-hydroxy-14-oxoicosa-5,8,11,17-tetraenoic acid
CID 139619829
(4Z,7Z,10R,11S,13Z,16Z,19Z)-10,11-dihydroxydocosa-4,7,13,16,19-pentaenoic acid
CID 129364490
(4E,7Z,10E,13Z,16Z,19Z)-docosa-4,7,10,13,16,19-hexaenoic acid
CID 122652065
(4Z,7Z,10Z)-docosa-4,7,10,13,16,19-hexaenoic acid
CID 118537232
(4Z,7E,10Z,13E,16E,19Z)-docosa-4,7,10,13,16,19-hexaenoic acid
CID 122652072
(4E,7Z)-docosa-4,7,10,13,16,19-hexaenoic acid
CID 151038001
(4E,7E,10E,13E,16Z,19Z)-docosa-4,7,10,13,16,19-hexaenoic acid
CID 57417355
(19Z)-docosa-4,7,10,13,16,19-hexaenoic acid
CID 175738679
(4E)-docosa-4,7,10,13,16,19-hexaenoic acid
CID 132895583
(4E,7Z,10Z,13Z,16Z,19Z)-docosa-4,7,10,13,16,19-hexaenoic acid
CID 13034934
(4Z,7E,10E,13Z,16E,19E)-docosa-4,7,10,13,16,19-hexaenoic acid
CID 122651975
(4Z,7Z,10Z,13Z,16Z,19Z)-13,14-dihydroxydocosa-4,7,10,13,16,19-hexaenoic acid
CID 171730312

Frequently Asked Questions

What is the IUPAC name of (4Z)-17-hydroxy-16-oxodocosa-4,7,10,13,19-pentaenoic acid?
The IUPAC name of (4Z)-17-hydroxy-16-oxodocosa-4,7,10,13,19-pentaenoic acid (CID 139619832) is (4Z)-17-hydroxy-16-oxodocosa-4,7,10,13,19-pentaenoic acid.
What is the SMILES notation for (4Z)-17-hydroxy-16-oxodocosa-4,7,10,13,19-pentaenoic acid?
The canonical SMILES for (4Z)-17-hydroxy-16-oxodocosa-4,7,10,13,19-pentaenoic acid is CCC=CCC(O)C(=O)CC=CCC=CCC=CC/C=C\CCC(=O)O.
What is the InChIKey of (4Z)-17-hydroxy-16-oxodocosa-4,7,10,13,19-pentaenoic acid?
The InChIKey is DPEVNIYEQDUORG-HMYAJZJNSA-N. The full InChI is InChI=1S/C22H32O4/c1-2-3-14-17-20(23)21(24)18-15-12-10-8-6-4-5-7-9-11-13-16-19-22(25)26/h3,5-8,11-15,20,23H,2,4,9-10,16-19H2,1H3,(H,25,26)/b7-5?,8-6?,13-11-,14-3?,15-12?.
What are the key properties of (4Z)-17-hydroxy-16-oxodocosa-4,7,10,13,19-pentaenoic acid?
(4Z)-17-hydroxy-16-oxodocosa-4,7,10,13,19-pentaenoic acid has a molecular weight of 360.49 g/mol, XLogP of 4.92, 15 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (4Z)-17-hydroxy-16-oxodocosa-4,7,10,13,19-pentaenoic acid is sourced from PubChem (CID 139619832), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).