5,8,11,14,17-Eicosapentaenoic Acid

HCID 3209

Notes Reactions

Substructure search Find similar structures

Basic information

CAS: 1553-41-9
Standard SMILES: CCC=CCC=CCC=CCC=CCC=CCCCC(=O)O
InChIKey: JAZBEHYOTPTENJ-UHFFFAOYSA-N
Molecular formula: C20H30O2
Average molar mass: 302.5 g/mol
Monoisotopic mass: 302.2245802

Names & identifiers

Preferred name: 5,8,11,14,17-Eicosapentaenoic Acid
IUPAC: icosa-5,8,11,14,17-pentaenoic acid

Names & synonyms

1553-41-95,8,11,14,17-EICOSAPENTAENOIC ACIDDTXSID70860077RefChem:1072270DTXCID00809974icosa-5,8,11,14,17-pentaenoic acideicosa-5,8,11,14,17-pentaenoic acidEPA;Timnodonic acid5,8,11,14,17-Eicosapentaenoicacideicosapentaenoic acid (epa)CBiol_001944KBioGR_000048

Show more names

KBioSS_000048SCHEMBL120667KBio2_000048KBio2_002616KBio2_005184KBio3_000095KBio3_000096JAZBEHYOTPTENJ-UHFFFAOYSA-N

Database identifiers

CAS: 1553-41-9
PubChem CID: 3209
DTXSID: DTXSID70860077

Properties

Computed structural properties

XLogP: 5.6
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

17 records

New reaction record

HRID 138731As reactantTraining data from https://doi.org/10.1039/C8SC04228D (9/10)

HRID 209836As reactantTraining data from https://doi.org/10.1039/C8SC04228D (6/10)

HRID 213050As reactantTraining data from https://doi.org/10.1039/C8SC04228D (6/10)

HRID 287306As reactantTraining data from https://doi.org/10.1039/C8SC04228D (8/10)

HRID 293326As productAs reactantTraining data from https://doi.org/10.1039/C8SC04228D (8/10)

HRID 294854As reactantTraining data from https://doi.org/10.1039/C8SC04228D (8/10)

HRID 628785As reactantuspto-grants-2016_04

HRID 631760As reactantuspto-grants-2016_04

Compound notes

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