Basic information
- CAS
29259-52-7- Standard SMILES
CC/C=C\C/C=C\C/C=C\C/C=C\CCC(=O)O- InChIKey
IVTCJQZAGWTMBZ-LTKCOYKYSA-N- Molecular formula
- C16H24O2
- Average molar mass
- 248.36 g/mol
- Monoisotopic mass
- 248.17763
Overview
(4Z,7Z,10Z,13Z)-hexadeca-4,7,10,13-tetraenoic acid is a polyunsaturated fatty acid that is hexadecanoic acid with unsaturation at positions 4, 7, 10 and 13. It is found in Daphnia galeata. It has a role as a Daphnia galeata metabolite. It is a long-chain fatty acid, a polyunsaturated fatty acid and a straight-chain fatty acid.
Names & identifiers
- Preferred name
- (4Z,7Z,10Z,13Z)-hexadeca-4,7,10,13-tetraenoic acid
- IUPAC
- (4Z,7Z,10Z,13Z)-hexadeca-4,7,10,13-tetraenoic acid
- English name
- Hexadecatetraenoicacid
- Molecular formula
- C16H24O2
- Molecular weight
- 248.36
Names & synonyms
(4Z,7Z,10Z,13Z)-hexadeca-4,7,10,13-tetraenoic acidCHEBI:83030RefChem:10505434Z,7Z,10Z,13Z-hexadecatetraenoic acid(all-Z)-4,7,10,13-Hexadecatetraenoic acidC16:4n-3,6,9,1216:4(4Z,7Z,10Z,13Z)4,7,10,13-Hexadecatetraenoic acid, (all-Z)-4,7,10,13-Hexadecatetraenoic acid, (4Z,7Z,10Z,13Z)-LMFA01030163orb2299489(4z,7z,10z,13z)-4,7,10,13-hexadecatetraenoic acid
Show more names
4(Z),7(Z),10(Z),13(Z)-Hexadecatetraenoic Acid4,7,10,13-Hexadecatetraenoicacid, (4Z,7Z,10Z,13Z)-
SCHEMBL12073579TN7264HY-116776CS-0066497Q27156583
Database identifiers
- CAS
29259-52-7- PubChem CID
- 5312433
- ChEBI
CHEBI:83030- Nikkaji
- J934.350D
Properties
Computed structural properties
- XLogP
- 4.3
- Topological polar surface area
- 37.3 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 2
- Rotatable bonds
- 10
- Heavy atoms
- 18
- Formal charge
- 0
- Complexity
- 309
Experimental & physicochemical properties
LipidsFatty Acyls [FA] -> Fatty Acids and Conjugates [FA01] -> Unsaturated fatty acids [FA0103]
Physicochemical properties
- Boiling point
- 355.111 · 355.111±21.00 °C(Press: 760.00 Torr)(predicted)
- Density
- 0.949 · 0.949±0.06 g/cm3(Temp: 25 °C; Press: 760 Torr)(predicted)
- storage temp.
- -20 °C · Store at -20°C
- solubility
- 50 mg/ml; · DMF: 50 mg/ml; DMSO: 50 mg/ml; Ethanol: 50 mg/ml; PBS (pH 7.2): 0.1 mg/ml
- pka
- 4.581 · 4.581±0.10(predicted)
- Symbol(GHS)
- 2 · GHS02,GHS07
- Signal word
- Danger
- Hazard statements
- 225 · H225-H319
- Precautionary statements
- 210 · P210-P233-P240-P241-P242-P243-P264-P280-P303+P361+P353-P305+P351+P338-P337+P313-P370+P378-P403+P235-P501
Safety & regulation
Safety information is for reference only and does not replace the supplier’s Safety Data Sheet (SDS), applicable regulations, or professional assessment.
Safety data
- Signal word
- Danger
- Symbol(GHS)
- GHS02,GHS07
- Hazard statements
- H225-H319
- Precautionary statements
- P210-P233-P240-P241-P242-P243-P264-P280-P303+P361+P353-P305+P351+P338-P337+P313-P370+P378-P403+P235-P501
Chemistry & industry
Applications
Description4(Z),7(Z),10(Z),13(Z)-Hexadecatetraenoic acid is an unusual polyunsaturated fatty acid (PUFA) generated during the synthesis of docosahexaenoic acid-d5 . While the physiological properties of this compound are not known, dietary intake of n-3 long-chain PUFAs provides potential health benefits.1
UsesHexadecatetraenoic acid is an unsaturated fatty acid that can be isolated from sardine oil[1].
Suppliers12 total
MedBio脉铂医药021-69568360 18916172912 · [email protected]
TargetMol 中国（陶术生物）400-821-0310 15002144251 · [email protected]
深圳振强药物研发有限公司0755-66853366 13670046396 · [email protected]
Alfa Chemistry1-516-6625404 · [email protected]
聊城莱博特生物医药科技有限公司0635-893290 · [email protected]
Shanghai Acmec Biochemical Technology Co., Ltd.+86-18621343501 · [email protected]
深圳市丽晶生化科技有限公司0755-85201366 18938635012 · [email protected]
上海宏叶生物科技有限公司400-9205774 400-920-5774 · [email protected]
SHANGHAI KEAN TECHNOLOGY CO., LTD.+8613817748580 · [email protected]
上海一飞生物科技有限公司021-65675885 18964387627 · [email protected]
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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