1.0 2016-09-30 23:05:53 UTC 2020-04-22 15:12:40 UTC BMDB0003689 BMDB03689 Neuroprotectin D1 (4Z,7Z,10R,11E,13E,15Z,17S,19Z)-10,17-Dihydroxydocosahexaenoic acid (N)PD1 (Neuro)protectin D1 10(R),17(S)-Dihydroxydocosa-4Z,7Z,11E,13E,15Z,19Z-hexaenoic acid NPD1 PD1 (4Z,7Z,10R,11E,13E,15Z,17S,19Z)-10,17-Dihydroxydocosahexaenoate 10(R),17(S)-Dihydroxydocosa-4Z,7Z,11E,13E,15Z,19Z-hexaenoate 10R,17S-Dihydroxy-docosa-4Z,7Z,11E,13E,15Z,19Z-hexaenoate 10R,17S-Dihydroxy-docosa-4Z,7Z,11E,13E,15Z,19Z-hexaenoic acid Protectin D1 Neuroprotectin D1 C22H32O4 360.4871 360.230059512 (4Z,7Z,10R,11E,13E,15Z,17S,19Z)-10,17-dihydroxydocosa-4,7,11,13,15,19-hexaenoic acid neuroprotectin D1 CC\C=C/C[C@H](O)\C=C/C=C/C=C/[C@H](O)C\C=C/C\C=C/CCC(O)=O InChI=1S/C22H32O4/c1-2-3-10-15-20(23)17-12-8-9-13-18-21(24)16-11-6-4-5-7-14-19-22(25)26/h3,5-13,17-18,20-21,23-24H,2,4,14-16,19H2,1H3,(H,25,26)/b7-5-,9-8+,10-3-,11-6-,17-12-,18-13+/t20-,21+/m0/s1 CRDZYJSQHCXHEG-SFVBTVKNSA-N belongs to the class of organic compounds known as very long-chain fatty acids. These are fatty acids with an aliphatic tail that contains at least 22 carbon atoms. Organic compounds Lipids and lipid-like molecules Fatty Acyls Fatty acids and conjugates Very long-chain fatty acids Carbonyl compounds Carboxylic acids Hydrocarbon derivatives Hydroxy fatty acids Monocarboxylic acids and derivatives Organic oxides Secondary alcohols Unsaturated fatty acids Alcohol Aliphatic acyclic compound Carbonyl group Carboxylic acid Carboxylic acid derivative Hydrocarbon derivative Hydroxy fatty acid Monocarboxylic acid or derivatives Organic oxide Organic oxygen compound Organooxygen compound Secondary alcohol Unsaturated fatty acid Very long-chain fatty acid Aliphatic acyclic compounds Docosanoids Solid logp 4.95 ALOGPS logs -4.72 ALOGPS logp 4.29 ChemAxon pka_strongest_acidic 4.82 ChemAxon pka_strongest_basic -1.3 ChemAxon iupac (4Z,7Z,10R,11E,13E,15Z,17S,19Z)-10,17-dihydroxydocosa-4,7,11,13,15,19-hexaenoic acid ChemAxon average_mass 360.4871 ChemAxon mono_mass 360.230059512 ChemAxon smiles CC\C=C/C[C@H](O)\C=C/C=C/C=C/[C@H](O)C\C=C/C\C=C/CCC(O)=O ChemAxon formula C22H32O4 ChemAxon inchi InChI=1S/C22H32O4/c1-2-3-10-15-20(23)17-12-8-9-13-18-21(24)16-11-6-4-5-7-14-19-22(25)26/h3,5-13,17-18,20-21,23-24H,2,4,14-16,19H2,1H3,(H,25,26)/b7-5-,9-8+,10-3-,11-6-,17-12-,18-13+/t20-,21+/m0/s1 ChemAxon inchikey CRDZYJSQHCXHEG-SFVBTVKNSA-N ChemAxon polar_surface_area 77.76 ChemAxon refractivity 114.42 ChemAxon polarizability 41 ChemAxon rotatable_bond_count 14 ChemAxon acceptor_count 4 ChemAxon donor_count 3 ChemAxon physiological_charge -1 ChemAxon formal_charge 0 ChemAxon number_of_rings 0 ChemAxon bioavailability 1 ChemAxon rule_of_five Yes ChemAxon ghose_filter Yes ChemAxon veber_rule Yes ChemAxon mddr_like_rule Yes ChemAxon Specdb::MsMs 297856 Specdb::MsMs 297857 Specdb::MsMs 297858 Specdb::MsMs 339487 Specdb::MsMs 339488 Specdb::MsMs 339489 Specdb::MsMs 2661919 Specdb::MsMs 2661920 Specdb::MsMs 2661921 Specdb::MsMs 3020025 Specdb::MsMs 3020026 Specdb::MsMs 3020027 Specdb::CMs 14434 Specdb::CMs 38646 Specdb::CMs 134394 Specdb::CMs 142128 13171083 138655 Protectin_D1