1.0 2011-09-21 00:15:34 UTC 2015-07-21 06:57:15 UTC FDB022539 2-Hydroxyphytanoyl-CoA 2-Hydroxyphytanoyl-CoA is a substrate for Phytanoyl-CoA dioxygenase (peroxisomal). [HMDB] (3S,7R,11R)-2-hydroxy-3,7,11,15-tetramethylhexadecanoyl-CoA (3S,7R,11R)-2-hydroxy-3,7,11,15-tetramethylhexadecanoyl-Coenzyme A (3S)-2-hydroxyphytanoyl-CoA (3S)-2-hydroxyphytanoyl-Coenzyme A 2-Hydroxyphytanoyl-CoA 2-Hydroxyphytanoyl-Coenzyme A 3(S)-2-hydroxyphytanoyl-CoA 3(S)-2-hydroxyphytanoyl-Coenzyme A 3S2HPhy-CoA 3S2HPhy-Coenzyme A C41H74N7O18P3S 1078.049 1077.402388825 {[(2R,3S,4R,5R)-5-(6-amino-9H-purin-9-yl)-4-hydroxy-2-({[hydroxy({hydroxy[3-hydroxy-3-({2-[(2-{[(3S,7R,11R)-2-hydroxy-3,7,11,15-tetramethylhexadecanoyl]sulfanyl}ethyl)carbamoyl]ethyl}carbamoyl)-2,2-dimethylpropoxy]phosphoryl}oxy)phosphoryl]oxy}methyl)oxolan-3-yl]oxy}phosphonic acid [(2R,3S,4R,5R)-5-(6-aminopurin-9-yl)-4-hydroxy-2-[({hydroxy[hydroxy(3-hydroxy-3-({2-[(2-{[(3S,7R,11R)-2-hydroxy-3,7,11,15-tetramethylhexadecanoyl]sulfanyl}ethyl)carbamoyl]ethyl}carbamoyl)-2,2-dimethylpropoxy)phosphoryl]oxyphosphoryl}oxy)methyl]oxolan-3-yl]oxyphosphonic acid 172787-73-4 CC(C)CCC[C@@H](C)CCC[C@@H](C)CCC[C@H](C)C(O)C(=O)SCCNC(=O)CCNC(=O)C(O)C(C)(C)COP(O)(=O)OP(O)(=O)OC[C@H]1O[C@H]([C@H](O)[C@@H]1OP(O)(O)=O)N1C=NC2=C1N=CN=C2N InChI=1S/C41H74N7O18P3S/c1-25(2)11-8-12-26(3)13-9-14-27(4)15-10-16-28(5)32(50)40(54)70-20-19-43-30(49)17-18-44-38(53)35(52)41(6,7)22-63-69(60,61)66-68(58,59)62-21-29-34(65-67(55,56)57)33(51)39(64-29)48-24-47-31-36(42)45-23-46-37(31)48/h23-29,32-35,39,50-52H,8-22H2,1-7H3,(H,43,49)(H,44,53)(H,58,59)(H,60,61)(H2,42,45,46)(H2,55,56,57)/t26-,27-,28+,29-,32?,33-,34-,35?,39-/m1/s1 WNVFJMYPVBOLKV-PJDIVXIPSA-N belongs to the class of organic compounds known as pentoses. These are monosaccharides in which the carbohydrate moiety contains five carbon atoms. Pentoses Organic compounds Organic oxygen compounds Organooxygen compounds Carbohydrates and carbohydrate conjugates Aliphatic heteromonocyclic compounds Dialkyl ethers Hydrocarbon derivatives Oxacyclic compounds Primary alcohols Secondary alcohols Tetrahydrofurans Alcohol Aliphatic heteromonocyclic compound Dialkyl ether Ether Hydrocarbon derivative Organoheterocyclic compound Oxacycle Pentose monosaccharide Primary alcohol Secondary alcohol Tetrahydrofuran Solid logp 2.41 ALOGPS logs -2.88 ALOGPS solubility 1.43e+00 g/l ALOGPS logp -0.14 ChemAxon pka_strongest_acidic 0.83 ChemAxon pka_strongest_basic 4.95 ChemAxon iupac {[(2R,3S,4R,5R)-5-(6-amino-9H-purin-9-yl)-4-hydroxy-2-({[hydroxy({hydroxy[3-hydroxy-3-({2-[(2-{[(3S,7R,11R)-2-hydroxy-3,7,11,15-tetramethylhexadecanoyl]sulfanyl}ethyl)carbamoyl]ethyl}carbamoyl)-2,2-dimethylpropoxy]phosphoryl}oxy)phosphoryl]oxy}methyl)oxolan-3-yl]oxy}phosphonic acid ChemAxon average_mass 1078.049 ChemAxon mono_mass 1077.402388825 ChemAxon smiles CC(C)CCC[C@@H](C)CCC[C@@H](C)CCC[C@H](C)C(O)C(=O)SCCNC(=O)CCNC(=O)C(O)C(C)(C)COP(O)(=O)OP(O)(=O)OC[C@H]1O[C@H]([C@H](O)[C@@H]1OP(O)(O)=O)N1C=NC2=C1N=CN=C2N ChemAxon formula C41H74N7O18P3S ChemAxon inchi InChI=1S/C41H74N7O18P3S/c1-25(2)11-8-12-26(3)13-9-14-27(4)15-10-16-28(5)32(50)40(54)70-20-19-43-30(49)17-18-44-38(53)35(52)41(6,7)22-63-69(60,61)66-68(58,59)62-21-29-34(65-67(55,56)57)33(51)39(64-29)48-24-47-31-36(42)45-23-46-37(31)48/h23-29,32-35,39,50-52H,8-22H2,1-7H3,(H,43,49)(H,44,53)(H,58,59)(H,60,61)(H2,42,45,46)(H2,55,56,57)/t26-,27-,28+,29-,32?,33-,34-,35?,39-/m1/s1 ChemAxon inchikey WNVFJMYPVBOLKV-PJDIVXIPSA-N ChemAxon polar_surface_area 383.86 ChemAxon refractivity 256.26 ChemAxon polarizability 108.2 ChemAxon rotatable_bond_count 34 ChemAxon acceptor_count 18 ChemAxon donor_count 10 ChemAxon physiological_charge -4 ChemAxon formal_charge 0 ChemAxon Oxidation of Branched Chain Fatty Acids SMP00030 Phytanic Acid Peroxisomal Oxidation SMP00450 Specdb::MsMs 306829 Specdb::MsMs 306830 Specdb::MsMs 306831 Specdb::MsMs 350599 Specdb::MsMs 350600 Specdb::MsMs 350601 Specdb::MsMs 2693228 Specdb::MsMs 2693229 Specdb::MsMs 2693230 Specdb::MsMs 2986210 Specdb::MsMs 2986211 Specdb::MsMs 2986212 Specdb::NmrOneD 9142 Specdb::NmrOneD 9143 Specdb::NmrOneD 9144 Specdb::NmrOneD 9145 Specdb::NmrOneD 9146 Specdb::NmrOneD 9147 Specdb::NmrOneD 9148 Specdb::NmrOneD 9149 Specdb::NmrOneD 9150 Specdb::NmrOneD 9151 Specdb::NmrOneD 9152 Specdb::NmrOneD 9153 Specdb::NmrOneD 9154 Specdb::NmrOneD 9155 Specdb::NmrOneD 9156 Specdb::NmrOneD 9157 Specdb::NmrOneD 9158 Specdb::NmrOneD 9159 Specdb::NmrOneD 9160 Specdb::NmrOneD 9161 HMDB01295 15475 #<Reference:0x000055ce3025a4a0> Anatidae Type 1 specific Anatidae 8830 Beefalo Type 1 specific Bos taurus X Bison bison 297284 Bison Type 1 specific Bison bison 9901 Buffalo Type 1 specific Bubalus bubalis 89462 Cattle (Beef, Veal) Type 1 specific Bos taurus 9913 Chicken Type 1 specific Gallus gallus 9031 Columbidae (Dove, Pigeon) Type 1 specific Columbidae 8930 Deer Type 1 specific Cervidae 9850 Domestic goat Type 1 specific Capra aegagrus hircus 9925 Domestic pig Type 1 specific Sus scrofa domestica 9825 Elk Type 1 specific Cervus canadensis 1574408 Emu Type 1 specific Dromaius novaehollandiae 8790 European rabbit Type 1 specific Oryctolagus 9984 Greylag goose Type 1 specific Anser anser 8843 Guinea hen Type 1 specific Numida meleagris 8996 Horse Type 1 specific Equus caballus 9796 Mallard duck Type 1 specific Anas platyrhynchos 8839 Mountain hare Type 1 specific Lepus timidus 62621 Mule deer Type 1 specific Odocoileus 9871 Ostrich Type 1 specific Struthio camelus 8801 Pheasant Type 1 specific Phasianus colchicus 9054 Quail Type 1 specific Phasianidae 9005 Rabbit Type 1 specific Leporidae 9979 Rock ptarmigan Type 1 specific Lagopus muta 64668 Sheep (Mutton, Lamb) Type 1 specific Ovis aries 9940 Squab Type 1 specific Columba 8931 Turkey Type 1 specific Meleagris gallopavo 9103 Velvet duck Type 1 specific Melanitta fusca 371864 Wild boar Type 1 specific Sus scrofa 9823