Docosa-4,7,10,13,16,19-hexaenoic acid

HCID 3144CAS 2091-24-9
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Basic information

Standard SMILES
CCC=CCC=CCC=CCC=CCC=CCC=CCCC(=O)O
InChIKey
MBMBGCFOFBJSGT-UHFFFAOYSA-N
Molecular formula
C22H32O2
Average molar mass
328.5 g/mol
Monoisotopic mass
328.24023026

Overview

docosa-4,7,10,13,16,19-hexaenoic acid has been reported in Perilla frutescens and Scomber japonicus with data available.

Names & identifiers

Preferred name
Docosa-4,7,10,13,16,19-hexaenoic acid
IUPAC
docosa-4,7,10,13,16,19-hexaenoic acid

Names & synonyms

6217-54-5DOCOSA-4,7,10,13,16,19-HEXAENOIC ACID4,7,10,13,16,19-Docosahexaenoic acid, (4Z,7Z,10Z,13Z,16Z,19Z)-DHA;Cervonic AcidDHA (Docosahexaenoic Acid)CBiol_001946KBioGR_000018KBioSS_000018SCHEMBL159952orb1301846SCHEMBL8906119Docosahexaenoic acid Doconexent;
Show more names
KBio2_000018KBio2_002586KBio2_005154KBio3_000035KBio3_000036DTXSID40859953Bio1_000232Bio1_000721

Database identifiers

CAS
2091-24-9、6217-54-5
PubChem CID
3144
DTXSID
DTXSID40859953

Properties

Computed structural properties

XLogP
6.2
Topological polar surface area
37.3 Ų
Hydrogen bond donors
1
Hydrogen bond acceptors
2
Rotatable bonds
14
Heavy atoms
24

Safety & regulation

Hazard information

Regulatory Information4,7,10,13,16,19-Docosahexaenoic acid, (4Z,7Z,10Z,13Z,16Z,19Z)-: Does not have an individual approval but may be used as a component in a product covered by a group standard. It is not approved for use as a chemical in its own right.

Chemistry & industry

Uses & manufacturing

UsesUse (kg; approx.) in Germany (2009): ?5000

Related reactions

4 records
New reaction record

Linked notes

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