![XCM XCM](https://data.pdbj.org/pdbjplus/data/cc/svg/XCM.svg) | XCM | Name: | 3-methyl-N-[(1R)-1-(5-methyl-1H-pyrazol-3-yl)ethyl]-4-{1-[6-(trifluoromethyl)pyridin-3-yl]cyclopropyl}-1H-pyrrole-2-carboxamide | Formula: | C21 H22 F3 N5 O | SMILES: | Cc4nnc(C(C)NC(c1c(c(cn1)C2(CC2)c3ccc(C(F)(F)F)nc3)C)=O)c4 | InChi: | InChI=1S/C21H22F3N5O/c1-11-8-16(29-28-11)13(3)27-19(30)18-12(2)15(10-26-18)20(6-7-20)14-4-5-17(25-9-14)21(22,23)24/h4-5,8-10,13,26H,6-7H2,1-3H3,(H,27,30)(H,28,29)/t13-/m1/s1 | Definition date: | 2020-12-11 | Last modified: | 2021-05-14 | Release date: | 2021-05-19 | Identifier: | 3-methyl-N-[(1R)-1-(5-methyl-1H-pyrazol-3-yl)ethyl]-4-{1-[6-(trifluoromethyl)pyridin-3-yl]cyclopropyl}-1H-pyrrole-2-carboxamide |
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![XCV XCV](https://data.pdbj.org/pdbjplus/data/cc/svg/XCV.svg) | XCV | Name: | N-[(1R)-1-(5-cyano-1H-pyrazol-3-yl)ethyl]-3-methyl-4-{1-[6-(trifluoromethyl)pyridin-3-yl]cyclopropyl}-1H-pyrrole-2-carboxamide | Formula: | C21 H19 F3 N6 O | SMILES: | c1(nnc(c1)C(NC(c2c(c(cn2)C4(c3cnc(cc3)C(F)(F)F)CC4)C)=O)C)C#N | InChi: | InChI=1S/C21H19F3N6O/c1-11-15(20(5-6-20)13-3-4-17(26-9-13)21(22,23)24)10-27-18(11)19(31)28-12(2)16-7-14(8-25)29-30-16/h3-4,7,9-10,12,27H,5-6H2,1-2H3,(H,28,31)(H,29,30)/t12-/m1/s1 | Definition date: | 2020-12-11 | Last modified: | 2021-05-14 | Release date: | 2021-05-19 | Identifier: | N-[(1R)-1-(5-cyano-1H-pyrazol-3-yl)ethyl]-3-methyl-4-{1-[6-(trifluoromethyl)pyridin-3-yl]cyclopropyl}-1H-pyrrole-2-carboxamide |
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![WE7 WE7](https://data.pdbj.org/pdbjplus/data/cc/svg/WE7.svg) | WE7 | Name: | 3-[(2,6-dichlorophenyl)methyl]-8-(2-methylphenyl)-3H-purin-6-amine | Formula: | C19 H15 Cl2 N5 | SMILES: | C1=4C(=C(N)N=CN1Cc2c(Cl)cccc2Cl)N=C(c3c(cccc3)C)N=4 | InChi: | InChI=1S/C19H15Cl2N5/c1-11-5-2-3-6-12(11)18-24-16-17(22)23-10-26(19(16)25-18)9-13-14(20)7-4-8-15(13)21/h2-8,10H,9,22H2,1H3 | Definition date: | 2020-10-20 | Last modified: | 2021-05-14 | Release date: | 2021-05-19 | Identifier: | 3-[(2,6-dichlorophenyl)methyl]-8-(2-methylphenyl)-3H-purin-6-amine |
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![WES WES](https://data.pdbj.org/pdbjplus/data/cc/svg/WES.svg) | WES | Name: | (2S)-3-{[(S)-{[(1S,2S,3R,4S,5S,6S)-2,6-dihydroxy-3,4,5-tris(phosphonooxy)cyclohexyl]oxy}(hydroxy)phosphoryl]oxy}propane-1,2-diyl (9E,9'E)di-octadec-9-enoate | Formula: | C45 H86 O22 P4 | SMILES: | C(/CCCCCCCC(=O)OCC(COP(=O)(O)OC1C(O)C(OP(O)(O)=O)C(C(C1O)OP(O)(=O)O)OP(O)(=O)O)OC(CCCCCCC[C@H]=CCCCCCCCC)=O)=CCCCCCCCC | InChi: | InChI=1S/C45H86O22P4/c1-3-5-7-9-11-13-15-17-19-21-23-25-27-29-31-33-38(46)61-35-37(63-39(47)34-32-30-28-26-24-22-20-18-16-14-12-10-8-6-4-2)36-62-71(59,60)67-42-40(48)43(64-68(50,51)52)45(66-70(56,57)58)44(41(42)49)65-69(53,54)55/h17-20,37,40-45,48-49H,3-16,21-36H2,1-2H3,(H,59,60)(H2,50,51,52)(H2,53,54,55)(H2,56,57,58)/b19-17+,20-18+/t37-,40-,41-,42-,43+,44-,45-/m0/s1 | Definition date: | 2020-10-22 | Last modified: | 2021-05-14 | Release date: | 2021-05-19 | Identifier: | (2S)-3-{[(S)-{[(1S,2S,3R,4S,5S,6S)-2,6-dihydroxy-3,4,5-tris(phosphonooxy)cyclohexyl]oxy}(hydroxy)phosphoryl]oxy}propane-1,2-diyl (9E,9'E)di-octadec-9-enoate |
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![V5W V5W](https://data.pdbj.org/pdbjplus/data/cc/svg/V5W.svg) | V5W | Name: | 4-(Cyclopentylamino)-2-[(2,5-dichlorophenyl)methylamino]-N-[3-(2-oxo-1,3-oxazolidin-3-yl)propyl]pyrimidine-5-carboxamide | Formula: | C23 H28 Cl2 N6 O3 | SMILES: | Clc1ccc(Cl)c(CNc2ncc(C(=O)NCCCN3CCOC3=O)c(NC4CCCC4)n2)c1 | InChi: | InChI=1S/C23H28Cl2N6O3/c24-16-6-7-19(25)15(12-16)13-27-22-28-14-18(20(30-22)29-17-4-1-2-5-17)21(32)26-8-3-9-31-10-11-34-23(31)33/h6-7,12,14,17H,1-5,8-11,13H2,(H,26,32)(H2,27,28,29,30) | Synonyms: | 2-[[2,5-bis(chloranyl)phenyl]methylamino]-4-(cyclopentylamino)-N-[3-(2-oxidanylidene-1,3-oxazolidin-3-yl)propyl]pyrimidine-5-carboxamide | Definition date: | 2021-04-19 | Last modified: | 2021-05-14 | Release date: | 2021-05-19 | Identifier: | 2-[[2,5-bis(chloranyl)phenyl]methylamino]-4-(cyclopentylamino)-~{N}-[3-(2-oxidanylidene-1,3-oxazolidin-3-yl)propyl]pyrimidine-5-carboxamide |
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![V62 V62](https://data.pdbj.org/pdbjplus/data/cc/svg/V62.svg) | V62 | Name: | 2-[[2,5-bis(bromanyl)-4-methyl-phenyl]methylamino]-4-(cyclohexylamino)-N-[3-(2-oxidanylidene-1,3-oxazolidin-3-yl)propyl]pyrimidine-5-carboxamide | Formula: | C25 H32 Br2 N6 O3 | SMILES: | Cc1cc(Br)c(CNc2ncc(C(=O)NCCCN3CCOC3=O)c(NC4CCCCC4)n2)cc1Br | InChi: | InChI=1S/C25H32Br2N6O3/c1-16-12-21(27)17(13-20(16)26)14-29-24-30-15-19(22(32-24)31-18-6-3-2-4-7-18)23(34)28-8-5-9-33-10-11-36-25(33)35/h12-13,15,18H,2-11,14H2,1H3,(H,28,34)(H2,29,30,31,32) | Definition date: | 2021-04-19 | Last modified: | 2021-05-14 | Release date: | 2021-05-19 | Identifier: | 2-[[2,5-bis(bromanyl)-4-methyl-phenyl]methylamino]-4-(cyclohexylamino)-~{N}-[3-(2-oxidanylidene-1,3-oxazolidin-3-yl)propyl]pyrimidine-5-carboxamide |
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![V6B V6B](https://data.pdbj.org/pdbjplus/data/cc/svg/V6B.svg) | V6B | Name: | 2-[[2,5-bis(bromanyl)-4-methyl-phenyl]methylamino]-4-(cyclopentylamino)-N-[3-(2-oxidanylidene-1,3-oxazolidin-3-yl)propyl]pyrimidine-5-carboxamide | Formula: | C24 H30 Br2 N6 O3 | SMILES: | Cc1cc(Br)c(CNc2ncc(C(=O)NCCCN3CCOC3=O)c(NC4CCCC4)n2)cc1Br | InChi: | InChI=1S/C24H30Br2N6O3/c1-15-11-20(26)16(12-19(15)25)13-28-23-29-14-18(21(31-23)30-17-5-2-3-6-17)22(33)27-7-4-8-32-9-10-35-24(32)34/h11-12,14,17H,2-10,13H2,1H3,(H,27,33)(H2,28,29,30,31) | Definition date: | 2021-04-19 | Last modified: | 2021-05-14 | Release date: | 2021-05-19 | Identifier: | 2-[[2,5-bis(bromanyl)-4-methyl-phenyl]methylamino]-4-(cyclopentylamino)-~{N}-[3-(2-oxidanylidene-1,3-oxazolidin-3-yl)propyl]pyrimidine-5-carboxamide |
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![V6E V6E](https://data.pdbj.org/pdbjplus/data/cc/svg/V6E.svg) | V6E | Name: | 4-(cyclopentylamino)-2-[(3,4-dichlorophenyl)methylamino]-N-[3-(2-oxidanylidenepyrrolidin-1-yl)propyl]pyrimidine-5-carboxamide | Formula: | C24 H30 Cl2 N6 O2 | SMILES: | Clc1ccc(CNc2ncc(C(=O)NCCCN3CCCC3=O)c(NC4CCCC4)n2)cc1Cl | InChi: | InChI=1S/C24H30Cl2N6O2/c25-19-9-8-16(13-20(19)26)14-28-24-29-15-18(22(31-24)30-17-5-1-2-6-17)23(34)27-10-4-12-32-11-3-7-21(32)33/h8-9,13,15,17H,1-7,10-12,14H2,(H,27,34)(H2,28,29,30,31) | Definition date: | 2021-04-19 | Last modified: | 2021-05-14 | Release date: | 2021-05-19 | Identifier: | 4-(cyclopentylamino)-2-[(3,4-dichlorophenyl)methylamino]-~{N}-[3-(2-oxidanylidenepyrrolidin-1-yl)propyl]pyrimidine-5-carboxamide |
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![V6H V6H](https://data.pdbj.org/pdbjplus/data/cc/svg/V6H.svg) | V6H | Name: | 2-[[2,5-bis(fluoranyl)phenyl]methylamino]-4-(cyclopentylamino)-N-[3-(2-oxidanylidenepyrrolidin-1-yl)propyl]pyrimidine-5-carboxamide | Formula: | C24 H30 F2 N6 O2 | SMILES: | Fc1ccc(F)c(CNc2ncc(C(=O)NCCCN3CCCC3=O)c(NC4CCCC4)n2)c1 | InChi: | InChI=1S/C24H30F2N6O2/c25-17-8-9-20(26)16(13-17)14-28-24-29-15-19(22(31-24)30-18-5-1-2-6-18)23(34)27-10-4-12-32-11-3-7-21(32)33/h8-9,13,15,18H,1-7,10-12,14H2,(H,27,34)(H2,28,29,30,31) | Definition date: | 2021-04-19 | Last modified: | 2021-05-14 | Release date: | 2021-05-19 | Identifier: | 2-[[2,5-bis(fluoranyl)phenyl]methylamino]-4-(cyclopentylamino)-~{N}-[3-(2-oxidanylidenepyrrolidin-1-yl)propyl]pyrimidine-5-carboxamide |
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![H8L H8L](https://data.pdbj.org/pdbjplus/data/cc/svg/H8L.svg) | H8L | Name: | O3-methyl O5-(2-methylpropyl) 2,6-dimethyl-4-[2-(oxidanylamino)phenyl]pyridine-3,5-dicarboxylate | Formula: | C20 H24 N2 O5 | SMILES: | COC(=O)c1c(C)nc(C)c(C(=O)OCC(C)C)c1c2ccccc2NO | InChi: | InChI=1S/C20H24N2O5/c1-11(2)10-27-20(24)17-13(4)21-12(3)16(19(23)26-5)18(17)14-8-6-7-9-15(14)22-25/h6-9,11,22,25H,10H2,1-5H3 | Definition date: | 2020-11-26 | Last modified: | 2021-05-14 | Release date: | 2021-05-19 | Identifier: | ~{O}3-methyl ~{O}5-(2-methylpropyl) 2,6-dimethyl-4-[2-(oxidanylamino)phenyl]pyridine-3,5-dicarboxylate |
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![VEB VEB](https://data.pdbj.org/pdbjplus/data/cc/svg/VEB.svg) | VEB | Name: | [oxidanyl-[(2~{S},3~{S},5~{R},6~{S})-2,3,4,5,6-pentaphosphonooxycyclohexyl]oxy-phosphoryl]methylphosphonic acid | Formula: | C7 H21 O26 P7 | SMILES: | O[P](O)(=O)C[P](O)(=O)O[CH]1[CH](O[P](O)(O)=O)[CH](O[P](O)(O)=O)[CH](O[P](O)(O)=O)[CH](O[P](O)(O)=O)[CH]1O[P](O)(O)=O | InChi: | InChI=1S/C7H21O26P7/c8-34(9,10)1-35(11,12)28-2-3(29-36(13,14)15)5(31-38(19,20)21)7(33-40(25,26)27)6(32-39(22,23)24)4(2)30-37(16,17)18/h2-7H,1H2,(H,11,12)(H2,8,9,10)(H2,13,14,15)(H2,16,17,18)(H2,19,20,21)(H2,22,23,24)(H2,25,26,27)/t2-,3-,4-,5+,6-,7-/m0/s1 | Synonyms: | PCP-InsP7 | Definition date: | 2021-05-11 | Last modified: | 2021-05-14 | Release date: | 2021-05-19 | Identifier: | [oxidanyl-[(2~{S},3~{S},5~{R},6~{S})-2,3,4,5,6-pentaphosphonooxycyclohexyl]oxy-phosphoryl]methylphosphonic acid |
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![SJN SJN](https://data.pdbj.org/pdbjplus/data/cc/svg/SJN.svg) | SJN | Name: | 4-Hydroxy-7-methyl-1,8-naphthyridine-3-carboxylic acid | Formula: | C10 H8 N2 O3 | SMILES: | Cc1ccc2C(=O)C(=CNc2n1)C(O)=O | InChi: | InChI=1S/C10H8N2O3/c1-5-2-3-6-8(13)7(10(14)15)4-11-9(6)12-5/h2-4H,1H3,(H,14,15)(H,11,12,13) | Synonyms: | 7-methyl-4-oxidanylidene-3~{H}-1,8-naphthyridine-3-carboxylic acid | Definition date: | 2020-11-18 | Last modified: | 2021-05-14 | Release date: | 2021-05-19 | Identifier: | 7-methyl-4-oxidanylidene-1~{H}-1,8-naphthyridine-3-carboxylic acid |
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![Q4H Q4H](https://data.pdbj.org/pdbjplus/data/cc/svg/Q4H.svg) | Q4H | Name: | 4-azanylpyrimidine-5-carbonitrile | Formula: | C5 H4 N4 | SMILES: | Nc1ncncc1C#N | InChi: | InChI=1S/C5H4N4/c6-1-4-2-8-3-9-5(4)7/h2-3H,(H2,7,8,9) | Definition date: | 2020-05-11 | Last modified: | 2021-05-14 | Release date: | 2021-05-19 | Identifier: | 4-azanylpyrimidine-5-carbonitrile |
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![Q4K Q4K](https://data.pdbj.org/pdbjplus/data/cc/svg/Q4K.svg) | Q4K | Name: | ethyl (2~{S},3~{R})-3-(5-bromanylpyridin-2-yl)-2-fluoranyl-3-oxidanyl-propanoate | Formula: | C10 H11 Br F N O3 | SMILES: | CCOC(=O)[CH](F)[CH](O)c1ccc(Br)cn1 | InChi: | InChI=1S/C10H11BrFNO3/c1-2-16-10(15)8(12)9(14)7-4-3-6(11)5-13-7/h3-5,8-9,14H,2H2,1H3/t8-,9+/m0/s1 | Definition date: | 2020-05-11 | Last modified: | 2021-05-14 | Release date: | 2021-05-19 | Identifier: | ethyl (2~{S},3~{R})-3-(5-bromanylpyridin-2-yl)-2-fluoranyl-3-oxidanyl-propanoate |
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![Q4Z Q4Z](https://data.pdbj.org/pdbjplus/data/cc/svg/Q4Z.svg) | Q4Z | Name: | [(3~{a}~{R},5~{R},6~{S},7~{R},7~{a}~{R})-2-methyl-6,7-bis(oxidanyl)-5,6,7,7~{a}-tetrahydro-3~{a}~{H}-pyrano[3,2-d][1,3]oxazol-1-ium-5-yl]methyl sulfate | Formula: | C8 H13 N O8 S | SMILES: | CC1=[NH+][CH]2[CH](O)[CH](O)[CH](CO[S]([O-])(=O)=O)O[CH]2O1 | InChi: | InChI=1S/C8H13NO8S/c1-3-9-5-7(11)6(10)4(17-8(5)16-3)2-15-18(12,13)14/h4-8,10-11H,2H2,1H3,(H,12,13,14)/t4-,5-,6-,7-,8+/m1/s1 | Definition date: | 2020-05-12 | Last modified: | 2021-05-14 | Release date: | 2021-05-19 | Identifier: | [(3~{a}~{R},5~{R},6~{S},7~{R},7~{a}~{R})-2-methyl-6,7-bis(oxidanyl)-5,6,7,7~{a}-tetrahydro-3~{a}~{H}-pyrano[3,2-d][1,3]oxazol-1-ium-5-yl]methyl sulfate |
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![MW7 MW7](https://data.pdbj.org/pdbjplus/data/cc/svg/MW7.svg) | MW7 | Name: | 4-ethenylbenzoic acid | Formula: | C9 H8 O2 | SMILES: | C=[C@H]c1ccc(cc1)C(O)=O | InChi: | InChI=1S/C9H8O2/c1-2-7-3-5-8(6-4-7)9(10)11/h2-6H,1H2,(H,10,11) | Definition date: | 2019-04-22 | Last modified: | 2021-05-14 | Release date: | 2021-05-19 | Identifier: | 4-ethenylbenzoic acid |
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![QN5 QN5](https://data.pdbj.org/pdbjplus/data/cc/svg/QN5.svg) | QN5 | Name: | 2-(2-methyl-1~{H}-indol-3-yl)ethanoic acid | Formula: | C11 H11 N O2 | SMILES: | Cc1[nH]c2ccccc2c1CC(O)=O | InChi: | InChI=1S/C11H11NO2/c1-7-9(6-11(13)14)8-4-2-3-5-10(8)12-7/h2-5,12H,6H2,1H3,(H,13,14) | Synonyms: | 2-Methylindole-3-acetic acid | Definition date: | 2020-07-08 | Last modified: | 2021-05-14 | Release date: | 2021-05-19 | Identifier: | 2-(2-methyl-1~{H}-indol-3-yl)ethanoic acid |
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![I33 I33](https://data.pdbj.org/pdbjplus/data/cc/svg/I33.svg) | I33 | Name: | 7-chloro-N-(quinuclidin-3-yl)benzo[b]thiophene-2-carboxamide | Formula: | C16 H17 Cl N2 O S | SMILES: | Clc1cccc2cc(sc12)C(=O)N[CH]3CN4CCC3CC4 | InChi: | InChI=1S/C16H17ClN2OS/c17-12-3-1-2-11-8-14(21-15(11)12)16(20)18-13-9-19-6-4-10(13)5-7-19/h1-3,8,10,13H,4-7,9H2,(H,18,20)/t13-/m0/s1 | Definition date: | 2021-04-09 | Last modified: | 2021-05-14 | Release date: | 2021-05-19 | Identifier: | ~{N}-[(3~{R})-1-azabicyclo[2.2.2]octan-3-yl]-7-chloranyl-1-benzothiophene-2-carboxamide |
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![I34 I34](https://data.pdbj.org/pdbjplus/data/cc/svg/I34.svg) | I34 | Name: | N-(5-Chloro-2,4-dimethoxyphenyl)-N'-(5-methyl-3-isoxazolyl)-urea | Formula: | C13 H14 Cl N3 O4 | SMILES: | COc1cc(OC)c(NC(=O)Nc2cc(C)on2)cc1Cl | InChi: | InChI=1S/C13H14ClN3O4/c1-7-4-12(17-21-7)16-13(18)15-9-5-8(14)10(19-2)6-11(9)20-3/h4-6H,1-3H3,(H2,15,16,17,18) | Definition date: | 2021-04-09 | Last modified: | 2021-05-14 | Release date: | 2021-05-19 | Identifier: | 1-(5-chloranyl-2,4-dimethoxy-phenyl)-3-(5-methyl-1,2-oxazol-3-yl)urea |
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![9ZW 9ZW](https://data.pdbj.org/pdbjplus/data/cc/svg/9ZW.svg) | 9ZW | Name: | 4-methyl-3-(morpholin-4-ylmethyl)-7-[(1~{R})-1-phenylethoxy]chromen-2-one | Formula: | C23 H25 N O4 | SMILES: | C[CH](Oc1ccc2C(=C(CN3CCOCC3)C(=O)Oc2c1)C)c4ccccc4 | InChi: | InChI=1S/C23H25NO4/c1-16-20-9-8-19(27-17(2)18-6-4-3-5-7-18)14-22(20)28-23(25)21(16)15-24-10-12-26-13-11-24/h3-9,14,17H,10-13,15H2,1-2H3/t17-/m1/s1 | Definition date: | 2021-02-09 | Last modified: | 2021-05-14 | Release date: | 2021-05-19 | Identifier: | 4-methyl-3-(morpholin-4-ylmethyl)-7-[(1~{R})-1-phenylethoxy]chromen-2-one |
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![9ZX 9ZX](https://data.pdbj.org/pdbjplus/data/cc/svg/9ZX.svg) | 9ZX | Name: | 4-methyl-3-(morpholin-4-ylmethyl)-7-[(2~{S})-2-phenylpropoxy]chromen-2-one | Formula: | C24 H27 N O4 | SMILES: | C[CH](COc1ccc2C(=C(CN3CCOCC3)C(=O)Oc2c1)C)c4ccccc4 | InChi: | InChI=1S/C24H27NO4/c1-17(19-6-4-3-5-7-19)16-28-20-8-9-21-18(2)22(24(26)29-23(21)14-20)15-25-10-12-27-13-11-25/h3-9,14,17H,10-13,15-16H2,1-2H3/t17-/m1/s1 | Definition date: | 2021-02-09 | Last modified: | 2021-05-14 | Release date: | 2021-05-19 | Identifier: | 4-methyl-3-(morpholin-4-ylmethyl)-7-[(2~{S})-2-phenylpropoxy]chromen-2-one |
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![FXK FXK](https://data.pdbj.org/pdbjplus/data/cc/svg/FXK.svg) | FXK | Name: | 1~{H}-indol-3-ylmethanol | Formula: | C9 H9 N O | SMILES: | OCc1c[nH]c2ccccc12 | InChi: | InChI=1S/C9H9NO/c11-6-7-5-10-9-4-2-1-3-8(7)9/h1-5,10-11H,6H2 | Definition date: | 2018-08-13 | Last modified: | 2021-05-14 | Release date: | 2021-05-19 | Identifier: | 1~{H}-indol-3-ylmethanol |
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![UI1 UI1](https://data.pdbj.org/pdbjplus/data/cc/svg/UI1.svg) | UI1 | Name: | 6-[(Z)-AMINO(IMINO)METHYL]-N-[4-(AMINOMETHYL)PHENYL]-4-(PYRIMIDIN-2-YLAMINO)-2-NAPHTHAMIDE | Formula: | C23 H21 N7 O | SMILES: | NCc1ccc(cc1)NC(=O)c1cc(Nc2ncccn2)c2cc(ccc2c1)C(=N)N | InChi: | InChI=1S/C23H21N7O/c24-13-14-2-6-18(7-3-14)29-22(31)17-10-15-4-5-16(21(25)26)11-19(15)20(12-17)30-23-27-8-1-9-28-23/h1-12H,13,24H2,(H3,25,26)(H,29,31)(H,27,28,30) | Definition date: | 2004-03-26 | Last modified: | 2021-05-13 | Identifier: | N-[4-(aminomethyl)phenyl]-6-carbamimidoyl-4-[(pyrimidin-2-yl)amino]naphthalene-2-carboxamide |
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![3AU 3AU](https://data.pdbj.org/pdbjplus/data/cc/svg/3AU.svg) | 3AU | Name: | 3-[(3S)-3-amino-3-carboxypropyl]uridine 5'-(dihydrogen phosphate) | Formula: | C13 H20 N3 O11 P | SMILES: | O=C(O)C(N)CCN1C(=O)C=CN(C1=O)C2OC(C(O)C2O)COP(=O)(O)O | InChi: | InChI=1S/C13H20N3O11P/c14-6(12(20)21)1-3-15-8(17)2-4-16(13(15)22)11-10(19)9(18)7(27-11)5-26-28(23,24)25/h2,4,6-7,9-11,18-19H,1,3,5,14H2,(H,20,21)(H2,23,24,25)/t6-,7+,9+,10+,11+/m0/s1 | Definition date: | 2011-01-18 | Last modified: | 2021-05-11 | Identifier: | 3-[(3S)-3-amino-3-carboxypropyl]uridine 5'-(dihydrogen phosphate) |
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![CDL CDL](https://data.pdbj.org/pdbjplus/data/cc/svg/CDL.svg) | CDL | Name: | CARDIOLIPIN | Formula: | C81 H156 O17 P2 | SMILES: | CCCCCCCCCCCCCCCCCC(=O)OC[CH](CO[P]([O-])(=O)OC[CH](O)CO[P]([O-])(=O)OC[CH](COC(=O)CCCCCCCCCCCCCCCCC)OC(=O)CCCCCCCCCCCCCCCCC)OC(=O)CCCCCCCCCCCCCCCCC | InChi: | InChI=1S/C81H158O17P2/c1-5-9-13-17-21-25-29-33-37-41-45-49-53-57-61-65-78(83)91-71-76(97-80(85)67-63-59-55-51-47-43-39-35-31-27-23-19-15-11-7-3)73-95-99(87,88)93-69-75(82)70-94-100(89,90)96-74-77(98-81(86)68-64-60-56-52-48-44-40-36-32-28-24-20-16-12-8-4)72-92-79(84)66-62-58-54-50-46-42-38-34-30-26-22-18-14-10-6-2/h75-77,82H,5-74H2,1-4H3,(H,87,88)(H,89,90)/p-2/t76-,77-/m1/s1 | Synonyms: | DIPHOSPHATIDYL GLYCEROL | Definition date: | 1999-11-19 | Last modified: | 2021-05-11 | Identifier: | [3-[[(2~{R})-2,3-di(octadecanoyloxy)propoxy]-oxidanidyl-phosphoryl]oxy-2-oxidanyl-propyl] [(2~{R})-2,3-di(octadecanoyloxy)propyl] phosphate |
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