(8Z,11Z,13E,15S,17Z)-15-hydroxyicosa-8,11,13,17-tetraenoic acid

C20H32O3 — CID 118042403

IUPAC(8Z,11Z,13E,15S,17Z)-15-hydroxyicosa-8,11,13,17-tetraenoic acid
SMILESCC/C=C\C[C@H](O)/C=C/C=C\C/C=C\CCCCCCC(=O)O
InChIInChI=1S/C20H32O3/c1-2-3-13-16-19(21)17-14-11-9-7-5-4-6-8-10-12-15-18-20(22)23/h3-5,9,11,13-14,17,19,21H,2,6-8,10,12,15-16,18H2,1H3,(H,22,23)/b5-4-,11-9-,13-3-,17-14+/t19-/m0/s1
InChIKeyHWNPNBSAALEDSB-ATCUWOQKSA-N
MW320.47 g/mol
LogP5.19
Rot. Bonds14

About (8Z,11Z,13E,15S,17Z)-15-hydroxyicosa-8,11,13,17-tetraenoic acid

(8Z,11Z,13E,15S,17Z)-15-hydroxyicosa-8,11,13,17-tetraenoic acid (PubChem CID 118042403) has the molecular formula C20H32O3 and a molecular weight of 320.47 g/mol. Its IUPAC name is (8Z,11Z,13E,15S,17Z)-15-hydroxyicosa-8,11,13,17-tetraenoic acid.

Molecular Properties

Compound Name(8Z,11Z,13E,15S,17Z)-15-hydroxyicosa-8,11,13,17-tetraenoic acid
PubChem CID118042403
Molecular FormulaC20H32O3
Molecular Weight320.47 g/mol
Exact Mass320.24
IUPAC Name(8Z,11Z,13E,15S,17Z)-15-hydroxyicosa-8,11,13,17-tetraenoic acid
SMILESCC/C=C\C[C@H](O)/C=C/C=C\C/C=C\CCCCCCC(=O)O
InChIInChI=1S/C20H32O3/c1-2-3-13-16-19(21)17-14-11-9-7-5-4-6-8-10-12-15-18-20(22)23/h3-5,9,11,13-14,17,19,21H,2,6-8,10,12,15-16,18H2,1H3,(H,22,23)/b5-4-,11-9-,13-3-,17-14+/t19-/m0/s1
InChIKeyHWNPNBSAALEDSB-ATCUWOQKSA-N
XLogP5.19
TPSA57.53 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds14
Heavy Atoms23
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500320.47
LogP ≤ 55.19
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

Analyze (8Z,11Z,13E,15S,17Z)-15-hydroxyicosa-8,11,13,17-tetraenoic acid with MolForge

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Related Compounds

(10R)-10-hydroxydocosa-7,11,13,16,19-pentaenoic acid
CID 71446611
11-hydroxyicosa-5,8,12,14,17-pentaenoic acid
CID 53394253
(5E,8E,11E,13E,15S,17E)-15-hydroxyicosa-5,8,11,13,17-pentaenoic acid
CID 71771411
(9E,11E,15E)-13-hydroxyoctadeca-9,11,15-trienoic acid
CID 22041877
(9Z,11E,15Z)-13-hydroxyoctadeca-9,11,15-trienoic acid
CID 10469728
(4Z,7Z,10Z,12E,14R,16Z,19Z)-14-hydroxydocosa-4,7,10,12,16,19-hexaenoic acid
CID 52921999
(4E,7E,10E,13E,15E,19E)-17-hydroxydocosa-4,7,10,13,15,19-hexaenoic acid
CID 20839260
(8E,10Z,13Z,15E,19Z)-7,17-dihydroxydocosa-8,10,13,15,19-pentaenoic acid
CID 11588593
(4Z,7S,8E,10Z,12Z,15Z,18Z)-7-hydroxyhenicosa-4,8,10,12,15,18-hexaenoic acid
CID 89037704
sodium (14Z,17Z,20Z,23Z,25E,27S,29Z)-27-hydroxydotriaconta-14,17,20,23,25,29-hexaenoate
CID 153310855
(16Z,19Z,22Z,25Z,27E,29S,31Z)-29-hydroxy-N-oxotetratriaconta-16,19,22,25,27,31-hexaenamide
CID 162756964
methyl (14Z,17Z,20Z,23Z,25E,27S,29Z)-27-hydroxydotriaconta-14,17,20,23,25,29-hexaenoate
CID 153310865

Frequently Asked Questions

What is the IUPAC name of (8Z,11Z,13E,15S,17Z)-15-hydroxyicosa-8,11,13,17-tetraenoic acid?
The IUPAC name of (8Z,11Z,13E,15S,17Z)-15-hydroxyicosa-8,11,13,17-tetraenoic acid (CID 118042403) is (8Z,11Z,13E,15S,17Z)-15-hydroxyicosa-8,11,13,17-tetraenoic acid.
What is the SMILES notation for (8Z,11Z,13E,15S,17Z)-15-hydroxyicosa-8,11,13,17-tetraenoic acid?
The canonical SMILES for (8Z,11Z,13E,15S,17Z)-15-hydroxyicosa-8,11,13,17-tetraenoic acid is CC/C=C\C[C@H](O)/C=C/C=C\C/C=C\CCCCCCC(=O)O.
What is the InChIKey of (8Z,11Z,13E,15S,17Z)-15-hydroxyicosa-8,11,13,17-tetraenoic acid?
The InChIKey is HWNPNBSAALEDSB-ATCUWOQKSA-N. The full InChI is InChI=1S/C20H32O3/c1-2-3-13-16-19(21)17-14-11-9-7-5-4-6-8-10-12-15-18-20(22)23/h3-5,9,11,13-14,17,19,21H,2,6-8,10,12,15-16,18H2,1H3,(H,22,23)/b5-4-,11-9-,13-3-,17-14+/t19-/m0/s1.
What are the key properties of (8Z,11Z,13E,15S,17Z)-15-hydroxyicosa-8,11,13,17-tetraenoic acid?
(8Z,11Z,13E,15S,17Z)-15-hydroxyicosa-8,11,13,17-tetraenoic acid has a molecular weight of 320.47 g/mol, XLogP of 5.19, 14 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (8Z,11Z,13E,15S,17Z)-15-hydroxyicosa-8,11,13,17-tetraenoic acid is sourced from PubChem (CID 118042403), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).