General Information of the Compound
| Compound ID |
CP0030287
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| Compound Name |
(4Z,7Z,10Z,13Z,16Z,19Z)-docosa-4,7,10,13,16,19-hexaenoic acid
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| Synonyms |
Espanova (TN)
(4Z,7Z,10Z,13Z,16Z,19Z)-Docosahexaenoic acid
(4Z,7Z,10Z,13Z,16Z,19Z)-docosa-4,7,10,13,16,19-hexaenoic acid
6217-54-5
AquaGrow Advantage
CCRIS 7670
CHEMBL367149
Cervonic acid
DOCOSAHEXAENOIC ACID
Doconexent
Doconexento
Doconexentum
Docosahexaenoate
Docosahexaenoic acid
Docosahexaenoic acid (all-Z)
Doxonexent
Eicosapentaenoic acid/docosa-hexaenoic acid
Martek DHA HM
Ropufa 60
UNII-ZAD9OKH9JC
ZAD9OKH9JC
all-Z-Docosahexaenoic acid
all-cis-4,7,10,13,16,19-Docosahexaenoic acid
all-cis-DHA
all-cis-docosa-4,7,10,13,16,19-hexaenoic acid
cis-4,7,10,13,16,19-Docosahexaenoic acid
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| Structure |
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| Formula |
C22H32O2
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| Molecular Weight |
328.496
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| Canonical SMILES |
CC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CCC(O)=O
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| InChI |
InChI=1S/C22H32O2/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-20-21-22(23)24/h3-4,6-7,9-10,12-13,15-16,18-19H,2,5,8,11,14,17,20-21H2,1H3,(H,23,24)/b4-3-,7-6-,10-9-,13-12-,16-15-,19-18-
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| InChIKey |
MBMBGCFOFBJSGT-KUBAVDMBSA-N
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| CAS |
25377-50-8
6217-54-5
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| Physicochemical Property |
"RO5" indicates the cutoff set by lipinski's rule of five: (1) Molecular weight less than 500 Dalton; (2) xlogp less than 5; (3) No more than 5 hbonddonor (Hydrogen Bond Donor Count); (4) No more than 10 hbondacc (Hydrogen Bond Acceptor Count); (5) No more than 10 rotbonds (Rotatable Bond Count). Show/Hide
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Map of Molecular Bioactivity Related to the Compound
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Map of Molecular Bioactivity Related to the Compound Compound Cell Line Protein Bioactivity Value: <= 0.1 μM > 0.1 μM and <= 10 μM > 10 μM Imprecise Activity |
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Table of Molecular Bioactivities Related to the Compound
Clinical Information about the Compound
Drug 1 ( Eicosapentaenoic acid/docosa-hexaenoic acid )
| Drug Name | Eicosapentaenoic acid/docosa-hexaenoic acid | ||
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| Company | Omthera Pharmaceutials | ||
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