Basic information
- CAS
1569300-52-2- Standard SMILES
CC/C=C\C/C=C\C/C=C\CCCCCC(=O)O- InChIKey
KBGYPXOSNDMZRV-PDBXOOCHSA-N- Molecular formula
- C16H26O2
- Average molar mass
- 250.38 g/mol
- Monoisotopic mass
- 250.19328007
Overview
All-cis-7,10,13-hexadecatrienoic acid is a hexadecatrienoic acid having Z double bonds at positions 7, 10 and 13. It is a hexadecatrienoic acid and an omega-3 fatty acid. It is a conjugate acid of a (7Z,10Z,13Z)-hexadecatrienoate.
Names & identifiers
- Preferred name
- 7,10,13-Hexadecatrienoic acid
- IUPAC
- (7Z,10Z,13Z)-hexadeca-7,10,13-trienoic acid
- English name
- 7(Z), 10(Z),13(Z)-HEXADECATRIENOIC ACID
- Molecular formula
- C16H26O2
- Molecular weight
- 250.38
Names & synonyms
7Z,10Z,13Z-hexadecatrienoic acid2271-35-4RefChem:914118(7E,10E,13E)-hexadeca-7,10,13-trienoic acid7,10,13-Hexadecatrienoic acidroughanic acid7561-64-0(7Z,10Z,13Z)-hexadeca-7,10,13-trienoic acidall-cis-7,10,13-Hexadecatrienoic acid(Z,Z,Z)-7,10,13-Hexadecatrienoic acid3IGF6441ID(7Z,10Z,13Z)-7,10,13-Hexadecatrienoic acid
Show more names
7(Z), 10(Z),13(Z)-HEXADECATRIENOIC ACID
7(Z),10(Z),13(Z)-Hexadecatrienoic acidUNII-3IGF6441ID7,10,13-Hexadecatrienoic acid, (7Z,10Z,13Z)-(7Z,10Z,13Z)-hexadecatrienoic acid7,10,13-Hexadecatrienoic acid, (Z,Z,Z)- (8CI)SCHEMBL982693orb2813785CHEBI:22340
Database identifiers
- CAS
1569300-52-2、7561-64-0- PubChem CID
- 5312428
- DTXSID
DTXSID501377033- ChEBI
CHEBI:22340- UNII
- 3IGF6441ID
- Nikkaji
Properties
Computed structural properties
- XLogP
- 4.8
- Topological polar surface area
- 37.3 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 2
- Rotatable bonds
- 11
- Heavy atoms
- 18
- Formal charge
- 0
- Complexity
- 275
Experimental & physicochemical properties
LipidsFatty Acyls [FA] -> Fatty Acids and Conjugates [FA01] -> Unsaturated fatty acids [FA0103]
Collision Cross Section160.8 Ų [M-H]- [CCS Type: TIMS; Method: single field calibrated]
Physicochemical properties
- Boiling point
- 349.8 · 349.8±21.0 °C(Predicted)
- Density
- 0.933 · 0.933±0.06 g/cm3(Predicted)
- solubility
- Ethanol: soluble
- form
- Liquid
- pka
- 4.76 · 4.76±0.10(Predicted)
- color
- Colorless to light yellow
- FDA UNII
- 3 IGF6441ID · 3IGF6441ID
Chemistry & industry
Applications
Uses7(Z),10(Z),13(Z)-Hexadecatrienoic Acid, is a polysaturated fatty acid, also shown to exist in Southern Australian seaweeds, a promising resource for omega-3 fatty acids.
Suppliers6 total
宜昌众意泰贸易有限公司0717-6449896 13886658719 · [email protected]
Alfa Chemistry1-516-6625404 · [email protected]
安徽今昱生物化工产品技术研发有限公司055167162561 13295518198 · [email protected]
南通韦恩迪医药科技有限公司18071612016 · [email protected]
上海贝万塔生物科技有限公司021-67187366 19901745723 · [email protected]
上海甄准生物科技有限公司18019219489 18901678489 · [email protected]
Additional notes
DefinitionChEBI: All-cis-7,10,13-hexadecatrienoic acid is a hexadecatrienoic acid having Z double bonds at positions 7, 10 and 13. It is a hexadecatrienoic acid and an omega-3 fatty acid. It is a conjugate acid of a (7Z,10Z,13Z)-hexadecatrienoate.
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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