Epeleuton

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Also known as: Epeleuton [inn], Fa9bpx1t6v, 1667760-39-5, (s,5z,8z,11z,13e,17z)-ethyl 15-hydroxyicosa-5,8,11,13,17-pentaenoate, 5,8,11,13,17-eicosapentaenoic acid, 15-hydroxy-, ethyl ester, (5z,8z,11z,13e,15s,17z)-, Unii-fa9bpx1t6v

Molecular Formula

C₂₂H₃₄O₃

Molecular Weight

346.5 g/mol

InChI Key

DJYKWMOPVZGTRJ-PILRRHKESA-N

FDA UNII

FA9BPX1T6V

1 2D Structure

Epeleuton

2 Identification

2.1 Computed Descriptors

2.1.1 IUPAC Name

ethyl (5Z,8Z,11Z,13E,15S,17Z)-15-hydroxyicosa-5,8,11,13,17-pentaenoate

2.1.2 InChI

InChI=1S/C22H34O3/c1-3-5-15-18-21(23)19-16-13-11-9-7-6-8-10-12-14-17-20-22(24)25-4-2/h5-7,10-13,15-16,19,21,23H,3-4,8-9,14,17-18,20H2,1-2H3/b7-6-,12-10-,13-11-,15-5-,19-16+/t21-/m0/s1

2.1.3 InChI Key

DJYKWMOPVZGTRJ-PILRRHKESA-N

2.1.4 Canonical SMILES

CCC=CCC(C=CC=CCC=CCC=CCCCC(=O)OCC)O

2.1.5 Isomeric SMILES

CC/C=C\C[C@@H](/C=C/C=C\C/C=C\C/C=C\CCCC(=O)OCC)O

2.2 Other Identifiers

2.2.1 UNII

FA9BPX1T6V

2.3 Synonyms

2.3.1 MeSH Synonyms

1. 5,8,11,13,17-eicosapentaenoic Acid, 15-hydroxy-, Ethyl Ester, (5z,8z,11z,13z,15s,17z)-

2. Ethyl (5z,8z,11z,13z,15s,17z)-15-hydroxy-5,8,11,13,17-icosapentaenoate

2.3.2 Depositor-Supplied Synonyms

1. Epeleuton [inn]

2. Fa9bpx1t6v

3. 1667760-39-5

4. (s,5z,8z,11z,13e,17z)-ethyl 15-hydroxyicosa-5,8,11,13,17-pentaenoate

5. 5,8,11,13,17-eicosapentaenoic Acid, 15-hydroxy-, Ethyl Ester, (5z,8z,11z,13e,15s,17z)-

6. Unii-fa9bpx1t6v

7. 15(s)-hydroxy-(5z,8z,11z,13e,17z)-eicosapentaenoic Acid Ethyl Ester

2.4 Create Date

2018-05-16

3 Chemical and Physical Properties

Molecular Formula	C₂₂H₃₄O₃
Molecular Weight	346.5 g/mol
XLogP3	5.2
Hydrogen Bond Donor Count	1
Hydrogen Bond Acceptor Count	3
Rotatable Bond Count	15
Exact Mass	346.25079494 g/mol
Monoisotopic Mass	346.25079494 g/mol
Topological Polar Surface Area	46.5 Å²
Heavy Atom Count	25
Formal Charge	0
Complexity	456
Isotope Atom Count	0
Defined Atom Stereocenter Count	1
Undefined Atom Stereocenter Count	0
Defined Bond Stereocenter Count	5
Undefined Bond Stereocenter Count	0
Covalently Bonded Unit Count	1