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119798-44-6 | 6,9,12,15-Octadecatetraenoic acid, ethyl ester, (6Z,9Z,12Z,15Z)-
CAS No: 119798-44-6 Catalog No: AG000PNN MDL No:MFCD01711183
Product Description
Catalog Number:
AG000PNN
Chemical Name:
6,9,12,15-Octadecatetraenoic acid, ethyl ester, (6Z,9Z,12Z,15Z)-
CAS Number:
119798-44-6
Molecular Formula:
C20H32O2
Molecular Weight:
304.4669
MDL Number:
MFCD01711183
IUPAC Name:
ethyl (6Z,9Z,12Z,15Z)-octadeca-6,9,12,15-tetraenoate
InChI:
InChI=1S/C20H32O2/c1-3-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-20(21)22-4-2/h5-6,8-9,11-12,14-15H,3-4,7,10,13,16-19H2,1-2H3/b6-5-,9-8-,12-11-,15-14-
InChI Key:
RIDOSNBWMUADGT-AFSLFLIVSA-N
SMILES:
CC/C=C\C/C=C\C/C=C\C/C=C\CCCCC(=O)OCC
UNII:
5388AU988H
Properties
Complexity:
362
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
4
Exact Mass:
304.24g/mol
Formal Charge:
0
Heavy Atom Count:
22
Hydrogen Bond Acceptor Count:
2
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
304.474g/mol
Monoisotopic Mass:
304.24g/mol
Rotatable Bond Count:
14
Topological Polar Surface Area:
26.3A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
5.9
Literature
| Title | Journal |
|---|---|
| Cultured fish cells metabolize octadecapentaenoic acid (all-cis delta3,6,9,12,15-18:5) to octadecatetraenoic acid (all-cis delta6,9,12,15-18:4) via its 2-trans intermediate (trans delta2, all-cis delta6,9,12,15-18:5). | Lipids 20010201 |
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