1.0 2010-04-08 22:09:40 UTC 2019-11-26 03:04:58 UTC FDB011480 Mytilin B Isolated from the edible mussel Mytilus galloprovincialis as a 1:3 inseparable mixture with Mytilin A <ht>LLF12-R</ht>. Mytilin B is found in mollusks. Mycosporin-Thr Porphyra 334 C14H23N2O8 347.341 347.145440722 (3E)-3-[(1-carboxy-2-hydroxypropyl)imino]-N-(carboxymethyl)-5-hydroxy-5-(hydroxymethyl)-2-methoxycyclohex-1-en-1-aminium (3E)-3-[(1-carboxy-2-hydroxypropyl)imino]-N-(carboxymethyl)-5-hydroxy-5-(hydroxymethyl)-2-methoxycyclohex-1-en-1-aminium 70579-26-9 COC1=C(CC(O)(CO)C\C1=[NH+]/C(C(C)O)C(O)=O)NCC(O)=O InChI=1S/C14H22N2O8/c1-7(18)11(13(21)22)16-9-4-14(23,6-17)3-8(12(9)24-2)15-5-10(19)20/h7,11,15,17-18,23H,3-6H2,1-2H3,(H,19,20)(H,21,22)/p+1/b16-9+ VIZAVBQHHMQOQF-CXUHLZMHSA-O belongs to the class of organic compounds known as alpha amino acids. These are amino acids in which the amino group is attached to the carbon atom immediately adjacent to the carboxylate group (alpha carbon). Alpha amino acids Organic compounds Organic acids and derivatives Carboxylic acids and derivatives Amino acids, peptides, and analogues Aliphatic homomonocyclic compounds Amino acids Azomethines Beta hydroxy acids and derivatives Carbonyl compounds Carboxylic acids Dialkylamines Dicarboxylic acids and derivatives Enamines Hydrocarbon derivatives Organic cations Organic oxides Organopnictogen compounds Primary alcohols Secondary alcohols Secondary ketimines Short-chain hydroxy acids and derivatives Tertiary alcohols Alcohol Aliphatic homomonocyclic compound Alpha-amino acid Amine Amino acid Azomethine Beta-hydroxy acid Carbonyl group Carboxylic acid Dicarboxylic acid or derivatives Enamine Hydrocarbon derivative Hydroxy acid Organic cation Organic nitrogen compound Organic oxide Organic oxygen compound Organonitrogen compound Organooxygen compound Organopnictogen compound Primary alcohol Secondary alcohol Secondary aliphatic amine Secondary amine Secondary ketimine Short-chain hydroxy acid Tertiary alcohol logp -0.37 ALOGPS logs -2.72 ALOGPS solubility 7.24e-01 g/l ALOGPS logp -3.7 ChemAxon pka_strongest_acidic 2.91 ChemAxon pka_strongest_basic 3.66 ChemAxon iupac (3E)-3-[(1-carboxy-2-hydroxypropyl)imino]-N-(carboxymethyl)-5-hydroxy-5-(hydroxymethyl)-2-methoxycyclohex-1-en-1-aminium ChemAxon average_mass 347.341 ChemAxon mono_mass 347.145440722 ChemAxon smiles COC1=C(CC(O)(CO)C\C1=[NH+]/C(C(C)O)C(O)=O)NCC(O)=O ChemAxon formula C14H23N2O8 ChemAxon inchi InChI=1S/C14H22N2O8/c1-7(18)11(13(21)22)16-9-4-14(23,6-17)3-8(12(9)24-2)15-5-10(19)20/h7,11,15,17-18,23H,3-6H2,1-2H3,(H,19,20)(H,21,22)/p+1/b16-9+ ChemAxon inchikey VIZAVBQHHMQOQF-CXUHLZMHSA-O ChemAxon polar_surface_area 173.49 ChemAxon refractivity 93.19 ChemAxon polarizability 33.96 ChemAxon rotatable_bond_count 8 ChemAxon acceptor_count 9 ChemAxon donor_count 6 ChemAxon physiological_charge -2 ChemAxon formal_charge 1 ChemAxon Specdb::MsMs 76140 Specdb::MsMs 76141 Specdb::MsMs 76142 Specdb::MsMs 135909 Specdb::MsMs 135910 Specdb::MsMs 135911 Specdb::CMs 11551 Specdb::CMs 43292 HMDB33442 #<Reference:0x000055ce33468460> Mollusks Unknown generic 6447