(8E,10Z,12Z,14E,16R,19Z)-7,16,17-trihydroxy-16-methyldocosa-8,10,12,14,19-pentaenoic acid

C23H36O5 — CID 89319513

IUPAC(8E,10Z,12Z,14E,16R,19Z)-7,16,17-trihydroxy-16-methyldocosa-8,10,12,14,19-pentaenoic acid
SMILESCC/C=C\CC(O)[C@](C)(O)/C=C/C=C\C=C/C=C/C(O)CCCCCC(=O)O
InChIInChI=1S/C23H36O5/c1-3-4-10-17-21(25)23(2,28)19-14-8-6-5-7-11-15-20(24)16-12-9-13-18-22(26)27/h4-8,10-11,14-15,19-21,24-25,28H,3,9,12-13,16-18H2,1-2H3,(H,26,27)/b7-5-,8-6-,10-4-,15-11+,19-14+/t20?,21?,23-/m1/s1
InChIKeyZGZKAKXWYOAALG-HNEGSESKSA-N
MW392.54 g/mol
LogP4.08
Rot. Bonds15

About (8E,10Z,12Z,14E,16R,19Z)-7,16,17-trihydroxy-16-methyldocosa-8,10,12,14,19-pentaenoic acid

(8E,10Z,12Z,14E,16R,19Z)-7,16,17-trihydroxy-16-methyldocosa-8,10,12,14,19-pentaenoic acid (PubChem CID 89319513) has the molecular formula C23H36O5 and a molecular weight of 392.54 g/mol. Its IUPAC name is (8E,10Z,12Z,14E,16R,19Z)-7,16,17-trihydroxy-16-methyldocosa-8,10,12,14,19-pentaenoic acid.

Molecular Properties

Compound Name(8E,10Z,12Z,14E,16R,19Z)-7,16,17-trihydroxy-16-methyldocosa-8,10,12,14,19-pentaenoic acid
PubChem CID89319513
Molecular FormulaC23H36O5
Molecular Weight392.54 g/mol
Exact Mass392.26
IUPAC Name(8E,10Z,12Z,14E,16R,19Z)-7,16,17-trihydroxy-16-methyldocosa-8,10,12,14,19-pentaenoic acid
SMILESCC/C=C\CC(O)[C@](C)(O)/C=C/C=C\C=C/C=C/C(O)CCCCCC(=O)O
InChIInChI=1S/C23H36O5/c1-3-4-10-17-21(25)23(2,28)19-14-8-6-5-7-11-15-20(24)16-12-9-13-18-22(26)27/h4-8,10-11,14-15,19-21,24-25,28H,3,9,12-13,16-18H2,1-2H3,(H,26,27)/b7-5-,8-6-,10-4-,15-11+,19-14+/t20?,21?,23-/m1/s1
InChIKeyZGZKAKXWYOAALG-HNEGSESKSA-N
XLogP4.08
TPSA97.99 Ų
H-Bond Donors4
H-Bond Acceptors4
Rotatable Bonds15
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500392.54
LogP ≤ 54.08
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 104

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 (8E,10Z,12Z,14E,16R,19Z)-7,16,17-trihydroxy-16-methyldocosa-8,10,12,14,19-pentaenoic acid with MolForge

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Related Compounds

(10S,11E,13Z,15E,17S,19Z)-10,17-dihydroxydocosa-11,13,15,19-tetraenoic acid
CID 135226178
(8E,10Z,13Z,15E,19Z)-7,17-dihydroxydocosa-8,10,13,15,19-pentaenoic acid
CID 11588593
(9R,10E,12E,15Z)-9-hydroxyoctadeca-10,12,15-trienoic acid
CID 124934195
7,13,20-trihydroxydocosa-8,10,14,16,18-pentaenoic acid
CID 162821627
12-hydroxyheptadec-14-enoic acid
CID 169277009
(5S,6Z,8E,10E,12R)-5,12-dihydroxyicosa-6,8,10-trienoic acid
CID 14753472
17-hydroxydocos-19-enoic acid
CID 169277016
(9Z,11E,15Z)-13-hydroxyoctadeca-9,11,15-trienoic acid
CID 10469728
(9E,11E,15E)-13-hydroxyoctadeca-9,11,15-trienoic acid
CID 22041877
(4S,5Z,7E,9E,11R,13Z,15E,17S,19Z)-4,11,17-trihydroxydocosa-5,7,9,13,15,19-hexaenoic acid
CID 71665428
(5R,6E,8Z,10E,12S,14Z,16E,18R)-5,12,18-trihydroxyicosa-6,8,10,14,16-pentaenoic acid
CID 131769819
(5Z,9E,11Z,13E)-8,15-dihydroxyicosa-5,9,11,13-tetraenoic acid
CID 53480358

Frequently Asked Questions

What is the IUPAC name of (8E,10Z,12Z,14E,16R,19Z)-7,16,17-trihydroxy-16-methyldocosa-8,10,12,14,19-pentaenoic acid?
The IUPAC name of (8E,10Z,12Z,14E,16R,19Z)-7,16,17-trihydroxy-16-methyldocosa-8,10,12,14,19-pentaenoic acid (CID 89319513) is (8E,10Z,12Z,14E,16R,19Z)-7,16,17-trihydroxy-16-methyldocosa-8,10,12,14,19-pentaenoic acid.
What is the SMILES notation for (8E,10Z,12Z,14E,16R,19Z)-7,16,17-trihydroxy-16-methyldocosa-8,10,12,14,19-pentaenoic acid?
The canonical SMILES for (8E,10Z,12Z,14E,16R,19Z)-7,16,17-trihydroxy-16-methyldocosa-8,10,12,14,19-pentaenoic acid is CC/C=C\CC(O)[C@](C)(O)/C=C/C=C\C=C/C=C/C(O)CCCCCC(=O)O.
What is the InChIKey of (8E,10Z,12Z,14E,16R,19Z)-7,16,17-trihydroxy-16-methyldocosa-8,10,12,14,19-pentaenoic acid?
The InChIKey is ZGZKAKXWYOAALG-HNEGSESKSA-N. The full InChI is InChI=1S/C23H36O5/c1-3-4-10-17-21(25)23(2,28)19-14-8-6-5-7-11-15-20(24)16-12-9-13-18-22(26)27/h4-8,10-11,14-15,19-21,24-25,28H,3,9,12-13,16-18H2,1-2H3,(H,26,27)/b7-5-,8-6-,10-4-,15-11+,19-14+/t20?,21?,23-/m1/s1.
What are the key properties of (8E,10Z,12Z,14E,16R,19Z)-7,16,17-trihydroxy-16-methyldocosa-8,10,12,14,19-pentaenoic acid?
(8E,10Z,12Z,14E,16R,19Z)-7,16,17-trihydroxy-16-methyldocosa-8,10,12,14,19-pentaenoic acid has a molecular weight of 392.54 g/mol, XLogP of 4.08, 15 rotatable bonds, 4 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (8E,10Z,12Z,14E,16R,19Z)-7,16,17-trihydroxy-16-methyldocosa-8,10,12,14,19-pentaenoic acid is sourced from PubChem (CID 89319513), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).