1.0 2010-04-08 22:15:04 UTC 2019-11-26 03:19:02 UTC FDB020506 Allodesmosine Isolated from hydrolysate of bovine ligamentum nuchae elastin. Allodesmosine is found in animal foods. C30H51N6O10 655.7601 655.366666882 3,5-bis(3-amino-3-carboxypropyl)-1-(5-amino-5-carboxypentyl)-4-(1,9-diamino-1,9-dicarboxynonan-4-yl)pyridin-1-ium 3,5-bis(3-amino-3-carboxypropyl)-1-(5-amino-5-carboxypentyl)-4-(1,9-diamino-1,9-dicarboxynonan-4-yl)pyridin-1-ium 129717-82-4 NC(CCCCC(CCC(N)C(O)=O)C1=C(CCC(N)C(O)=O)C=[N+](CCCCC(N)C(O)=O)C=C1CCC(N)C(O)=O)C(O)=O InChI=1S/C30H50N6O10/c31-20(26(37)38)6-2-1-5-17(8-11-22(33)28(41)42)25-18(9-12-23(34)29(43)44)15-36(14-4-3-7-21(32)27(39)40)16-19(25)10-13-24(35)30(45)46/h15-17,20-24H,1-14,31-35H2,(H4-,37,38,39,40,41,42,43,44,45,46)/p+1 IQEPQBCFQPLNCF-UHFFFAOYSA-O belongs to the class of organic compounds known as pentacarboxylic acids and derivatives. These are carboxylic acids containing exactly five carboxyl groups. Pentacarboxylic acids and derivatives Organic compounds Organic acids and derivatives Carboxylic acids and derivatives Pentacarboxylic acids and derivatives Aromatic heteromonocyclic compounds Alpha amino acids Amino acids Amino fatty acids Aralkylamines Azacyclic compounds Carbonyl compounds Carboxylic acids Heteroaromatic compounds Hydrocarbon derivatives Monoalkylamines Organic cations Organic oxides Organopnictogen compounds Pyridinium derivatives Alpha-amino acid Alpha-amino acid or derivatives Amine Amino acid Amino acid or derivatives Amino fatty acid Aralkylamine Aromatic heteromonocyclic compound Azacycle Carbonyl group Carboxylic acid Fatty acyl Heteroaromatic compound Hydrocarbon derivative Organic cation Organic nitrogen compound Organic oxide Organic oxygen compound Organoheterocyclic compound Organonitrogen compound Organooxygen compound Organopnictogen compound Pentacarboxylic acid or derivatives Primary aliphatic amine Primary amine Pyridine Pyridinium logp -4.51 ALOGPS logs -4.87 ALOGPS solubility 9.43e-03 g/l ALOGPS logp -11 ChemAxon pka_strongest_acidic 1.09 ChemAxon pka_strongest_basic 10 ChemAxon iupac 3,5-bis(3-amino-3-carboxypropyl)-1-(5-amino-5-carboxypentyl)-4-(1,9-diamino-1,9-dicarboxynonan-4-yl)pyridin-1-ium ChemAxon average_mass 655.7601 ChemAxon mono_mass 655.366666882 ChemAxon smiles NC(CCCCC(CCC(N)C(O)=O)C1=C(CCC(N)C(O)=O)C=[N+](CCCCC(N)C(O)=O)C=C1CCC(N)C(O)=O)C(O)=O ChemAxon formula C30H51N6O10 ChemAxon inchi InChI=1S/C30H50N6O10/c31-20(26(37)38)6-2-1-5-17(8-11-22(33)28(41)42)25-18(9-12-23(34)29(43)44)15-36(14-4-3-7-21(32)27(39)40)16-19(25)10-13-24(35)30(45)46/h15-17,20-24H,1-14,31-35H2,(H4-,37,38,39,40,41,42,43,44,45,46)/p+1 ChemAxon inchikey IQEPQBCFQPLNCF-UHFFFAOYSA-O ChemAxon polar_surface_area 320.48 ChemAxon refractivity 165.89 ChemAxon polarizability 70.05 ChemAxon rotatable_bond_count 25 ChemAxon acceptor_count 15 ChemAxon donor_count 10 ChemAxon physiological_charge 1 ChemAxon formal_charge 1 ChemAxon Specdb::MsMs 306151 Specdb::MsMs 306152 Specdb::MsMs 306153 Specdb::MsMs 2640295 Specdb::MsMs 2640296 Specdb::MsMs 2640297 Specdb::CMs 18114 Specdb::CMs 652134 Specdb::CMs 652135 Specdb::CMs 652136 Specdb::CMs 652137 Specdb::CMs 652138 Specdb::CMs 652139 Specdb::CMs 652140 Specdb::CMs 652141 Specdb::CMs 652142 Specdb::CMs 652143 Specdb::CMs 652144 Specdb::CMs 652145 Specdb::CMs 652146 Specdb::CMs 652147 Specdb::CMs 652148 Specdb::CMs 652149 Specdb::CMs 652150 Specdb::CMs 652151 Specdb::CMs 652152 Specdb::CMs 652153 Specdb::CMs 652154 Specdb::CMs 652155 Specdb::CMs 652156 Specdb::CMs 652157 Specdb::NmrOneD 42962 Specdb::NmrOneD 42963 Specdb::NmrOneD 42964 Specdb::NmrOneD 42965 Specdb::NmrOneD 42966 Specdb::NmrOneD 42967 Specdb::NmrOneD 42968 Specdb::NmrOneD 42969 Specdb::NmrOneD 42970 Specdb::NmrOneD 42971 Specdb::NmrOneD 42972 Specdb::NmrOneD 42973 Specdb::NmrOneD 42974 Specdb::NmrOneD 42975 Specdb::NmrOneD 42976 Specdb::NmrOneD 42977 Specdb::NmrOneD 42978 Specdb::NmrOneD 42979 Specdb::NmrOneD 42980 Specdb::NmrOneD 42981 HMDB40704 #<Reference:0x000055ce30499450>