Eicosapentenoic acid

HCID 135002

Notes Reactions

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Basic information

Standard SMILES: CCCCCCCCCC=CC=CC=CC=CC=CC(=O)O
InChIKey: SBHCLVQMTBWHCD-UHFFFAOYSA-N
Molecular formula: C20H30O2
Average molar mass: 302.5 g/mol
Monoisotopic mass: 302.2245802

Names & identifiers

Preferred name: Eicosapentenoic acid
IUPAC: icosa-2,4,6,8,10-pentaenoic acid

Names & synonyms

eicosapentenoic acidSCHEMBL20468SCHEMBL5887868AKOS028110000

Database identifiers

PubChem CID: 135002

Properties

Computed structural properties

XLogP: 7.4
Topological polar surface area: 37.3 Å²
Hydrogen bond donors: 1
Hydrogen bond acceptors: 2
Rotatable bonds: 13
Heavy atoms: 22
Formal charge: 0
Complexity: 398

Related reactions

4 records

New reaction record

HRID 164563 reaction equation

HRID 164563As reactantTraining data from https://doi.org/10.1039/C8SC04228D (9/10)

HRID 196378 reaction equation

HRID 196378As reactantTraining data from https://doi.org/10.1039/C8SC04228D (6/10)

HRID 287276 reaction equation

HRID 287276As reactantTraining data from https://doi.org/10.1039/C8SC04228D (8/10)

HRID 663864 reaction equation

HRID 663864As reactantTraining data from https://doi.org/10.1039/C8SC04228D (3/10)

Compound notes

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