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1000852-57-2 | 5,8,10,12-Eicosatetraenoic acid, 14-[[(2R)-2-amino-2-carboxyethyl]thio]-15-hydroxy-, (5Z,8Z,10E,12E,14R,15S)-
CAS No: 1000852-57-2 Catalog No: AG0000V1 MDL No:MFCD00036947
Product Description
Catalog Number:
AG0000V1
Chemical Name:
5,8,10,12-Eicosatetraenoic acid, 14-[[(2R)-2-amino-2-carboxyethyl]thio]-15-hydroxy-, (5Z,8Z,10E,12E,14R,15S)-
CAS Number:
1000852-57-2
Molecular Formula:
C23H37NO5S
Molecular Weight:
439.6086
MDL Number:
MFCD00036947
IUPAC Name:
(5Z,8Z,10E,12E,14R,15S)-14-[(2R)-2-amino-2-carboxyethyl]sulfanyl-15-hydroxyicosa-5,8,10,12-tetraenoic acid
InChI:
InChI=1S/C23H37NO5S/c1-2-3-12-15-20(25)21(30-18-19(24)23(28)29)16-13-10-8-6-4-5-7-9-11-14-17-22(26)27/h4,6-10,13,16,19-21,25H,2-3,5,11-12,14-15,17-18,24H2,1H3,(H,26,27)(H,28,29)/b6-4-,9-7-,10-8+,16-13+/t19-,20-,21+/m0/s1
InChI Key:
JLJNENVYAVKECZ-HRXVJLLUSA-N
SMILES:
CCCCC[C@@H]([C@H](SC[C@@H](C(=O)O)N)/C=C/C=C/C=C\C/C=C\CCCC(=O)O)O
Properties
Complexity:
586
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
3
Defined Bond Stereocenter Count:
4
Exact Mass:
439.239g/mol
Formal Charge:
0
Heavy Atom Count:
30
Hydrogen Bond Acceptor Count:
7
Hydrogen Bond Donor Count:
4
Isotope Atom Count:
0
Molecular Weight:
439.611g/mol
Monoisotopic Mass:
439.239g/mol
Rotatable Bond Count:
18
Topological Polar Surface Area:
146A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.9
Literature
| Title | Journal |
|---|---|
| Eoxins: a new inflammatory pathway in childhood asthma. | The Journal of allergy and clinical immunology 20101001 |
| Hodgkin Reed-Sternberg cells express 15-lipoxygenase-1 and are putative producers of eoxins in vivo: novel insight into the inflammatory features of classical Hodgkin lymphoma. | The FEBS journal 20080801 |
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