1.0 2010-04-08 22:05:18 UTC 2020-02-24 19:10:28 UTC FDB002268 Merodesmosine Aminoacid from reduced elastin. Merodesmosine is found in animal foods. 2,10-Diamino-5-[[(5-amino-5-carboxypentyl)amino]methyl]-5-undecenedioic acid, 9CI C18H34N4O6 402.4858 402.24783484 (5E)-2,10-diamino-5-{[(5-amino-5-carboxypentyl)amino]methyl}undec-5-enedioic acid (5E)-2,10-diamino-5-{[(5-amino-5-carboxypentyl)amino]methyl}undec-5-enedioic acid 17096-97-8 NC(CCCCNC\C(CCC(N)C(O)=O)=C\CCCC(N)C(O)=O)C(O)=O InChI=1S/C18H34N4O6/c19-13(16(23)24)6-2-1-5-12(8-9-15(21)18(27)28)11-22-10-4-3-7-14(20)17(25)26/h5,13-15,22H,1-4,6-11,19-21H2,(H,23,24)(H,25,26)(H,27,28)/b12-5+ ZUXGPPMNMKSOEO-LFYBBSHMSA-N 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 acyclic compounds Amino acids Amino fatty acids Carbonyl compounds Carboxylic acids Dialkylamines Hydrocarbon derivatives Monoalkylamines Organic oxides Organopnictogen compounds Tricarboxylic acids and derivatives Aliphatic acyclic compound Alpha-amino acid Amine Amino acid Amino fatty acid Carbonyl group Carboxylic acid Fatty acyl Hydrocarbon derivative Organic nitrogen compound Organic oxide Organic oxygen compound Organonitrogen compound Organooxygen compound Organopnictogen compound Primary aliphatic amine Primary amine Secondary aliphatic amine Secondary amine Tricarboxylic acid or derivatives logp -4.21 ALOGPS logs -3.11 ALOGPS solubility 3.15e-01 g/l ALOGPS logp -7.7 ChemAxon pka_strongest_acidic 2.01 ChemAxon pka_strongest_basic 10.34 ChemAxon iupac (5E)-2,10-diamino-5-{[(5-amino-5-carboxypentyl)amino]methyl}undec-5-enedioic acid ChemAxon average_mass 402.4858 ChemAxon mono_mass 402.24783484 ChemAxon smiles NC(CCCCNC\C(CCC(N)C(O)=O)=C\CCCC(N)C(O)=O)C(O)=O ChemAxon formula C18H34N4O6 ChemAxon inchi InChI=1S/C18H34N4O6/c19-13(16(23)24)6-2-1-5-12(8-9-15(21)18(27)28)11-22-10-4-3-7-14(20)17(25)26/h5,13-15,22H,1-4,6-11,19-21H2,(H,23,24)(H,25,26)(H,27,28)/b12-5+ ChemAxon inchikey ZUXGPPMNMKSOEO-LFYBBSHMSA-N ChemAxon polar_surface_area 201.99 ChemAxon refractivity 103.54 ChemAxon polarizability 44.25 ChemAxon rotatable_bond_count 17 ChemAxon acceptor_count 10 ChemAxon donor_count 7 ChemAxon physiological_charge 1 ChemAxon formal_charge 0 ChemAxon Specdb::MsMs 56310 Specdb::MsMs 56311 Specdb::MsMs 56312 Specdb::MsMs 111693 Specdb::MsMs 111694 Specdb::MsMs 111695 Specdb::MsMs 2453143 Specdb::MsMs 2453144 Specdb::MsMs 2453145 Specdb::MsMs 2482627 Specdb::MsMs 2482628 Specdb::MsMs 2482629 Specdb::CMs 12700 Specdb::CMs 41913 Specdb::CMs 149852 Specdb::NmrOneD 161509 Specdb::NmrOneD 161510 Specdb::NmrOneD 161511 Specdb::NmrOneD 161512 Specdb::NmrOneD 161513 Specdb::NmrOneD 161514 Specdb::NmrOneD 161515 Specdb::NmrOneD 161516 Specdb::NmrOneD 161517 Specdb::NmrOneD 161518 Specdb::NmrOneD 161519 Specdb::NmrOneD 161520 Specdb::NmrOneD 161521 Specdb::NmrOneD 161522 Specdb::NmrOneD 161523 Specdb::NmrOneD 161524 Specdb::NmrOneD 161525 Specdb::NmrOneD 161526 Specdb::NmrOneD 161527 Specdb::NmrOneD 161528 HMDB30407 #<Reference:0x000055ce3208c518>