Basic information
- CAS
330796-62-8- Standard SMILES
CCCCC/C=C\C/C=C\C/C=C\C=C\[C@@H](O)CCCC(=O)O- InChIKey
KGIJOOYOSFUGPC-JGKLHWIESA-N- Molecular formula
- C20H32O3
- Average molar mass
- 320.5 g/mol
- Monoisotopic mass
- 320.23514488
Names & identifiers
- Preferred name
- 5-Hydroxyeicosatetraenoic Acid
- IUPAC
- (5S,6E,8Z,11Z,14Z)-5-hydroxyicosa-6,8,11,14-tetraenoic acid
- English name
- 5(S)-HETE-D8
- Molecular formula
- C20H24D8O3
- Molecular weight
- 320.47
Names & synonyms
70608-72-95-Hete5-Hydroxyeicosatetraenoic acid5-Hydroxy-6,8,11,14-eicosatetraenoic acid467RNW8T915-HETE [MI]5-HETE, (S)-5-L-Hydroxy-6,8,11,14-eicosatetraenoic acidDTXSID7010172815(S)-Hydroxy-6-trans-8,11,14-cis-eicosatetraenoic acid6,8,11,14-Eicosatetraenoic acid, 5-hydroxy-, (5S,6E,8Z,11Z,14Z)-6,8,11,14-Eicosatetraenoic acid, 5-hydroxy-
Show more names
5(S)-HETE-D814,15-Dihydroxy-5,8,10,12-eicosatetraenoic Acid-D8(S,6E,8Z,11Z,14Z)-5-hydroxyicosa-6,8,11,14-tetraenoic acid5S-HYDROXY-6E,8Z,11Z,14Z-EICOSATETRAENOIC-5,6,8,9,11,12,14,15-D8 ACID
CHEBI:609435-OH 6t,8c,11c,14c-20:45-hydroxy,6E,8Z,11Z,14Z-eicosatetraenoic acid5-hydroxy-6E,8Z,11Z,14Z-icosatetraenoic acidRefChem:5362375-hydroxy-6-trans-8,11,14-cis-eicosatetraenoic acid5-hydroxy-6(E),8(Z),11(Z),14(Z)-eicosatetraenoic acid(6E,8Z,11Z,14Z)-5-hydroxyeicosa-6,8,11,14-tetraenoic acid
Database identifiers
- CAS
330796-62-8、70608-72-9
Properties
Computed structural properties
- XLogP
- 5.2
- Topological polar surface area
- 57.5 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 14
- Heavy atoms
- 23
- Formal charge
- 0
- Complexity
- 392
Experimental & physicochemical properties
Physical DescriptionSolid
Collision Cross Section
187.2 Ų [M-H]- [CCS Type: DT; Method: stepped-field]；188.21 Ų [M+Na]+ [CCS Type: DT; Method: stepped-field]
187 Ų [M+Na]+；186.6 Ų [M-H]-
Physicochemical properties
- storage temp.
- -20 °C · Store at -20°C
- solubility
- 0.1 M · 0.1 M Na2CO3: 2 mg/ml,DMF: Miscible,DMSO: Miscible,Ethanol: Miscible,PBS pH 7.2: 0.8 mg/ml
- form
- Liquid
- color
- Colorless to light yellow
- Symbol(GHS)
- 2 · GHS02,GHS07
- Signal word
- Danger
- Hazard statements
- 225 · H225-H302+H312+H332-H319
- Precautionary statements
- 210 · P210-P233-P240-P241-P242-P243-P261-P264-P270-P271-P280-P301+P312-P303+P361+P353-P304+P340-P305+P351+P338-P321-P330-P362+P364-P337+P313-P370+P378-P403+P235-P501
Safety & regulation
GHS classification
GHS Classification
Warning
H315 (100%): Causes skin irritation [Warning Skin corrosion/irritation]；H319 (100%): Causes serious eye irritation [Warning Serious eye damage/eye irritation]；H335 (100%): May cause respiratory irritation [Warning Specific target organ toxicity, single exposure; Respiratory tract irritation]
P261, P264, P264+P265, P271, P280, P302+P352, P304+P340, P305+P351+P338, P319, P321, P332+P317, P337+P317, P362+P364, P403+P233, P405, and P501 (click each P-code to see the statement)
Aggregated GHS information provided per 38 reports by companies from 1 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.；Information may vary between notifications depending on impurities, additives, and other factors. The percentage value in parenthesis indicates the notified classification ratio from companies that provide hazard codes. Only hazard codes with percentage values above 10% are shown. For more detailed information, please visit ECHA C&L website.
Hazard information
Hazard Classes and CategoriesSkin Irrit. 2 (100%)；Eye Irrit. 2 (100%)；STOT SE 3 (100%)
Safety data
- Signal word
- Danger
- Symbol(GHS)
- GHS02,GHS07
- Hazard statements
- H225-H302+H312+H332-H319
- Precautionary statements
- P210-P233-P240-P241-P242-P243-P261-P264-P270-P271-P280-P301+P312-P303+P361+P353-P304+P340-P305+P351+P338-P321-P330-P362+P364-P337+P313-P370+P378-P403+P235-P501
Chemistry & industry
Pharmacology
Tissue LocationsPlacenta
Cellular LocationsExtracellular；Membrane
Metabolite Pathways
Acetaminophen Action Pathway；Acetylsalicylic Acid Action Pathway；Antipyrine Action Pathway；Antrafenine Action Pathway；Arachidonic Acid Metabolism；Bromfenac Action Pathway；Carprofen Action Pathway；Celecoxib Action Pathway；Diclofenac Action Pathway；Diflunisal Action Pathway；Total 41 pathways, visit the HMDB page for details
Applications
Uses5(S)-HETE-d8 contains eight deuterium atoms at the 5, 6, 8, 9, 11, 12, 14, and 15 positions. It is intended for use as an internal standard for the quantification of 5(S)-HETE by GC- or LC-mass spectrometry (MS). 5(S)-HETE is produced by the action of 5-lipoxygenase on arachidonic acid to give 5(S)-HpETE, followed by reduction of the hydroperoxide. 5(S)-HETE has proliferative and chemotactic effects on granulocytes. When further metabolized to the 5-oxoETE, it is a more potent eosinophil chemoattractant than leukotriene B4.
Suppliers6 total
上海稳同科技有限公司02151600108 13062666369 · [email protected]
上海一研生物科技有限公司021-69985186 13611928337 · [email protected]
上海一飞生物科技有限公司021-65675885 18964387627 · [email protected]
ChemeGen 中国18818260767 · [email protected]
上海一飞生物科技有限公司021-65675885 18964387627 · [email protected]
Related reactions
1 records
Compound notes
Loading…