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Lipoxin A4

CAT: 1596-AR-L01739-06Size: 250 UnitsDry Ice: NoHazardous: No
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CAT#:1596-AR-L01739-06Size:250 Units
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CAS Number
89663-86-5
Synonyms
(5S,6R,7E,9E,11Z,13E,15S) -5,6,15-trihydroxyicosa-7,9,11,13-tetraenoicacid; Lipoxin A4 Sodium Salt
Molecular Formula
C20H32O5
Molecular Weight
352.47
API Name
Lipoxin

Chemical Information

Lipoxin A4

Lipoxin A4 is a C20 hydroxy fatty acid having (5S)-, (6R)- and (15S)-hydroxy groups as well as (7E)- (9E)-, (11Z)- and (13E)-double bonds. It has a role as a metabolite and a human metabolite. It is a hydroxy polyunsaturated fatty acid, a long-chain fatty acid and a lipoxin. It is a conjugate acid of a lipoxin A4(1-).

CAS Number89663-86-5
PubChem CID5280914
IUPAC Name(5S,6R,7E,9E,11Z,13E,15S)-5,6,15-trihydroxyicosa-7,9,11,13-tetraenoic acid
Molecular FormulaC20H32O5
Molecular Weight352.5
XLogP3.1
Topological Polar Surface Area98
Hydrogen Bond Donor Count4
Hydrogen Bond Acceptor Count5
Rotatable Bond Count14
Heavy Atom Count25
Formal Charge0
Complexity451
SMILES
CCCCC[C@@H](/C=C/C=C\C=C\C=C\[C@H]([C@H](CCCC(=O)O)O)O)O
InChI
InChI=1S/C20H32O5/c1-2-3-8-12-17(21)13-9-6-4-5-7-10-14-18(22)19(23)15-11-16-20(24)25/h4-7,9-10,13-14,17-19,21-23H,2-3,8,11-12,15-16H2,1H3,(H,24,25)/b6-4-,7-5+,13-9+,14-10+/t17-,18+,19-/m0/s1
InChIKey
IXAQOQZEOGMIQS-SSQFXEBMSA-N
Chemical Structure
2D Structure
2D structure of Lipoxin A4
CAS: 89663-86-5
CID: 5280914
Formula: C20H32O5
MW: 352.5
Interactive 3D Structure
Loading 3D structure...
Computed Properties
PropertyValue
Molecular Weight352.5
XLogP33.1
Hydrogen Bond Donor Count4
Hydrogen Bond Acceptor Count5
Rotatable Bond Count14
Exact Mass352.22497412
Monoisotopic Mass352.22497412
Topological Polar Surface Area98 Ų
Heavy Atom Count25
Formal Charge0
Complexity451
Isotope Atom Count0
Defined Atom Stereocenter Count3
Undefined Atom Stereocenter Count0
Defined Bond Stereocenter Count4
Undefined Bond Stereocenter Count0
Covalently-Bonded Unit Count1
Compound Is CanonicalizedYes