(7E,9S,11Z,14Z,17Z,20Z)-5-oxo-9-sulfanyltricosa-7,11,14,17,20-pentaenoic acid

C23H34O3S — CID 91667404

IUPAC(7E,9S,11Z,14Z,17Z,20Z)-5-oxo-9-sulfanyltricosa-7,11,14,17,20-pentaenoic acid
SMILESCC/C=C\C/C=C\C/C=C\C/C=C\C[C@H](S)/C=C/CC(=O)CCCC(=O)O
InChIInChI=1S/C23H34O3S/c1-2-3-4-5-6-7-8-9-10-11-12-13-18-22(27)19-14-16-21(24)17-15-20-23(25)26/h3-4,6-7,9-10,12-14,19,22,27H,2,5,8,11,15-18,20H2,1H3,(H,25,26)/b4-3-,7-6-,10-9-,13-12-,19-14+/t22-/m0/s1
InChIKeyLOZHXIYGVBRZNN-OGNFQFBJSA-N
MW390.59 g/mol
LogP6.25
Rot. Bonds16

About (7E,9S,11Z,14Z,17Z,20Z)-5-oxo-9-sulfanyltricosa-7,11,14,17,20-pentaenoic acid

(7E,9S,11Z,14Z,17Z,20Z)-5-oxo-9-sulfanyltricosa-7,11,14,17,20-pentaenoic acid (PubChem CID 91667404) has the molecular formula C23H34O3S and a molecular weight of 390.59 g/mol. Its IUPAC name is (7E,9S,11Z,14Z,17Z,20Z)-5-oxo-9-sulfanyltricosa-7,11,14,17,20-pentaenoic acid.

Molecular Properties

Compound Name(7E,9S,11Z,14Z,17Z,20Z)-5-oxo-9-sulfanyltricosa-7,11,14,17,20-pentaenoic acid
PubChem CID91667404
Molecular FormulaC23H34O3S
Molecular Weight390.59 g/mol
Exact Mass390.22
IUPAC Name(7E,9S,11Z,14Z,17Z,20Z)-5-oxo-9-sulfanyltricosa-7,11,14,17,20-pentaenoic acid
SMILESCC/C=C\C/C=C\C/C=C\C/C=C\C[C@H](S)/C=C/CC(=O)CCCC(=O)O
InChIInChI=1S/C23H34O3S/c1-2-3-4-5-6-7-8-9-10-11-12-13-18-22(27)19-14-16-21(24)17-15-20-23(25)26/h3-4,6-7,9-10,12-14,19,22,27H,2,5,8,11,15-18,20H2,1H3,(H,25,26)/b4-3-,7-6-,10-9-,13-12-,19-14+/t22-/m0/s1
InChIKeyLOZHXIYGVBRZNN-OGNFQFBJSA-N
XLogP6.25
TPSA54.37 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds16
Heavy Atoms27
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500390.59
LogP ≤ 56.25
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'isolated_alkene', 'substructure': 'N/A'}, {'alert_name': 'thiol_2', 'substructure': 'N/A'}

Analyze (7E,9S,11Z,14Z,17Z,20Z)-5-oxo-9-sulfanyltricosa-7,11,14,17,20-pentaenoic acid with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

(4Z,7Z,10Z,13Z,15S,19Z)-17-oxo-15-sulfanyldocosa-4,7,10,13,19-pentaenoic acid
CID 121232377
(6Z,9Z,12Z,15Z,18Z,21Z)-1-aminotetracosa-6,9,12,15,18,21-hexaen-4-one
CID 157366547
(5Z,8Z,11Z)-tetradeca-5,8,11-trienoic acid
CID 118863896
(5Z)-15-hydroxy-14-oxoicosa-5,8,11,17-tetraenoic acid
CID 139619829
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
9-hydroxyoctadeca-9,12,15-trienoic acid
CID 163187375
icosa-8,14,17-trienoic acid
CID 54189424
octacosa-10,13,16,19,22,25-hexaenoic acid
CID 75955160
henicosa-15,18-dienoic acid
CID 169277369
(12Z,15Z)-octadeca-12,15-dienoic acid
CID 5312453
(10Z,13Z,16Z,19Z,22Z,25Z)-octacosa-10,13,16,19,22,25-hexaenoic acid
CID 52921814

Frequently Asked Questions

What is the IUPAC name of (7E,9S,11Z,14Z,17Z,20Z)-5-oxo-9-sulfanyltricosa-7,11,14,17,20-pentaenoic acid?
The IUPAC name of (7E,9S,11Z,14Z,17Z,20Z)-5-oxo-9-sulfanyltricosa-7,11,14,17,20-pentaenoic acid (CID 91667404) is (7E,9S,11Z,14Z,17Z,20Z)-5-oxo-9-sulfanyltricosa-7,11,14,17,20-pentaenoic acid.
What is the SMILES notation for (7E,9S,11Z,14Z,17Z,20Z)-5-oxo-9-sulfanyltricosa-7,11,14,17,20-pentaenoic acid?
The canonical SMILES for (7E,9S,11Z,14Z,17Z,20Z)-5-oxo-9-sulfanyltricosa-7,11,14,17,20-pentaenoic acid is CC/C=C\C/C=C\C/C=C\C/C=C\C[C@H](S)/C=C/CC(=O)CCCC(=O)O.
What is the InChIKey of (7E,9S,11Z,14Z,17Z,20Z)-5-oxo-9-sulfanyltricosa-7,11,14,17,20-pentaenoic acid?
The InChIKey is LOZHXIYGVBRZNN-OGNFQFBJSA-N. The full InChI is InChI=1S/C23H34O3S/c1-2-3-4-5-6-7-8-9-10-11-12-13-18-22(27)19-14-16-21(24)17-15-20-23(25)26/h3-4,6-7,9-10,12-14,19,22,27H,2,5,8,11,15-18,20H2,1H3,(H,25,26)/b4-3-,7-6-,10-9-,13-12-,19-14+/t22-/m0/s1.
What are the key properties of (7E,9S,11Z,14Z,17Z,20Z)-5-oxo-9-sulfanyltricosa-7,11,14,17,20-pentaenoic acid?
(7E,9S,11Z,14Z,17Z,20Z)-5-oxo-9-sulfanyltricosa-7,11,14,17,20-pentaenoic acid has a molecular weight of 390.59 g/mol, XLogP of 6.25, 16 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (7E,9S,11Z,14Z,17Z,20Z)-5-oxo-9-sulfanyltricosa-7,11,14,17,20-pentaenoic acid is sourced from PubChem (CID 91667404), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).