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Resolvin E2

CAT: 0926-QJB53270Size: 1 mgDry Ice: NoHazardous: No
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CAT#:0926-QJB53270Size:1 mg
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CAS Number
865532-70-3
Smiles
CCC (C=CC=CCC=CCC=CC=CC (CCCC (=O) O) O) O
Molecular Formula
C20H30O4
Molecular Weight
334.4 g/mol
Controlled
No

Chemical Information

Resolvin E2

Resolvin E2 is a member of the class of resolvins that is (6E,8Z,11Z,14Z,16E)-icosapentaenoic acid carrying two hydroxy substituents at positions 5 and 18 (the 5S,18R stereoisomer). It has a role as an anti-inflammatory agent, a human xenobiotic metabolite and a rat metabolite. It is a resolvin, a secondary allylic alcohol, a hydroxy polyunsaturated fatty acid and a diol. It is a conjugate acid of a resolvin E2(1-).

CAS Number865532-70-3
PubChem CID16061125
IUPAC Name(5S,6E,8Z,11Z,14Z,16E,18R)-5,18-dihydroxyicosa-6,8,11,14,16-pentaenoic acid
Molecular FormulaC20H30O4
Molecular Weight334.4
XLogP3.5
Topological Polar Surface Area77.8
Hydrogen Bond Donor Count3
Hydrogen Bond Acceptor Count4
Rotatable Bond Count13
Heavy Atom Count24
Formal Charge0
Complexity458
SMILES
CC[C@H](/C=C/C=C\C/C=C\C/C=C\C=C\[C@H](CCCC(=O)O)O)O
InChI
InChI=1S/C20H30O4/c1-2-18(21)14-11-9-7-5-3-4-6-8-10-12-15-19(22)16-13-17-20(23)24/h3-4,7-12,14-15,18-19,21-22H,2,5-6,13,16-17H2,1H3,(H,23,24)/b4-3-,9-7-,10-8-,14-11+,15-12+/t18-,19-/m1/s1
InChIKey
KPRHYAOSTOHNQA-NNQKPOSRSA-N
Chemical Structure
2D Structure
2D structure of Resolvin E2
CAS: 865532-70-3
CID: 16061125
Formula: C20H30O4
MW: 334.4
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight334.4
XLogP33.5
Hydrogen Bond Donor Count3
Hydrogen Bond Acceptor Count4
Rotatable Bond Count13
Exact Mass334.21440943
Monoisotopic Mass334.21440943
Topological Polar Surface Area77.8 Ų
Heavy Atom Count24
Formal Charge0
Complexity458
Isotope Atom Count0
Defined Atom Stereocenter Count2
Undefined Atom Stereocenter Count0
Defined Bond Stereocenter Count5
Undefined Bond Stereocenter Count0
Covalently-Bonded Unit Count1
Compound Is CanonicalizedYes

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