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5 (S) -HPEPE

CAT: 0804-HY-117441Size: 50 µgDry Ice: NoHazardous: No
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CAT#:0804-HY-117441Size:50 µg
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24/48H Stock Items & 2 to 6 Weeks non Stock Items.
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Description
5 (S) -HPEPE is an ester product.
CAS Number
143292-98-2
UNSPSC
12352211
Hazard Statement
H302-H315-H319-H335
Target
Biochemical Assay Reagents
Type
Natural Products
Related Pathways
Others
Applications
Metabolism-protein/nucleotide metabolism
Field of Research
Metabolic Disease
Assay Protocol
https://www.medchemexpress.com/5-s-hpepe.html
Smiles
CC/C=C\C/C=C\C/C=C\C/C=C\C=C\[C@H](CCCC(O)=O)OO
Molecular Formula
C20H30O4
Molecular Weight
334.45
Precautions
P261-P264-P270-P271-P280-P302+P352-P304+P340-P305+P351+P338-P330-P362+P364-P403+P233-P405-P501
Shipping Conditions
Room temperature
Scientific Category
Natural Products
Clinical Information
No Development Reported

Chemical Information

5S-HpEPE

5S-HpEPE is a HPETE. It is a conjugate acid of a 5(S)-HpEPE(1-).

CAS Number143292-98-2
PubChem CID5283184
IUPAC Name(5S,6E,8Z,11Z,14Z,17Z)-5-hydroperoxyicosa-6,8,11,14,17-pentaenoic acid
Molecular FormulaC20H30O4
Molecular Weight334.4
XLogP4.6
Topological Polar Surface Area66.8
Hydrogen Bond Donor Count2
Hydrogen Bond Acceptor Count4
Rotatable Bond Count14
Heavy Atom Count24
Formal Charge0
Complexity445
SMILES
CC/C=C\C/C=C\C/C=C\C/C=C\C=C\[C@H](CCCC(=O)O)OO
InChI
InChI=1S/C20H30O4/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-16-19(24-23)17-15-18-20(21)22/h3-4,6-7,9-10,12-14,16,19,23H,2,5,8,11,15,17-18H2,1H3,(H,21,22)/b4-3-,7-6-,10-9-,13-12-,16-14+/t19-/m1/s1
InChIKey
NKXYOIJDQPQELO-GHWNLOBHSA-N
Chemical Structure
2D Structure
2D structure of 5S-HpEPE
CAS: 143292-98-2
CID: 5283184
Formula: C20H30O4
MW: 334.4
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight334.4
XLogP34.6
Hydrogen Bond Donor Count2
Hydrogen Bond Acceptor Count4
Rotatable Bond Count14
Exact Mass334.21440943
Monoisotopic Mass334.21440943
Topological Polar Surface Area66.8 Ų
Heavy Atom Count24
Formal Charge0
Complexity445
Isotope Atom Count0
Defined Atom Stereocenter Count1
Undefined Atom Stereocenter Count0
Defined Bond Stereocenter Count5
Undefined Bond Stereocenter Count0
Covalently-Bonded Unit Count1
Compound Is CanonicalizedYes

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MBS578530112(S)-HpEPE
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MBS579831015(S)-HpEPE

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