![DX9 DX9](https://data.pdbj.org/pdbjplus/data/cc/svg/DX9.svg) | DX9 | Name: | (2S)-3-(7-carbamimidoylnaphthalen-2-yl)-2-[4-({(3R)-1-[(1Z)-ethanimidoyl]pyrrolidin-3-yl}oxy)phenyl]propanoic acid | Formula: | C26 H28 N4 O3 | SMILES: | O=C(O)C(c2ccc(OC1CCN(C(=[N@H])C)C1)cc2)Cc4cc3cc(C(=[N@H])N)ccc3cc4 | InChi: | InChI=1S/C26H28N4O3/c1-16(27)30-11-10-23(15-30)33-22-8-6-19(7-9-22)24(26(31)32)13-17-2-3-18-4-5-20(25(28)29)14-21(18)12-17/h2-9,12,14,23-24,27H,10-11,13,15H2,1H3,(H3,28,29)(H,31,32)/b27-16+/t23-,24-/m0/s1 | Synonyms: | DX9056A | Definition date: | 1999-07-08 | Last modified: | 2021-03-01 | Identifier: | (2S)-3-(7-carbamimidoylnaphthalen-2-yl)-2-[4-({(3S)-1-[(1E)-ethanimidoyl]pyrrolidin-3-yl}oxy)phenyl]propanoic acid |
|
![GFT GFT](https://data.pdbj.org/pdbjplus/data/cc/svg/GFT.svg) | GFT | Name: | (2S)-2-azanyl-3-[cyclohexyloxy(methyl)phosphoryl]oxy-propanoic acid | Formula: | C10 H20 N O5 P | SMILES: | O=C(O)C(N)COP(=O)(OC1CCCCC1)C | InChi: | InChI=1S/C10H20NO5P/c1-17(14,15-7-9(11)10(12)13)16-8-5-3-2-4-6-8/h8-9H,2-7,11H2,1H3,(H,12,13)/t9-,17-/m0/s1 | Synonyms: | Cyclosarin bound Serine | Definition date: | 2013-02-04 | Last modified: | 2021-03-01 | Release date: | 2013-03-27 | Identifier: | O-[(S)-(cyclohexyloxy)(methyl)phosphoryl]-L-serine |
|
![GM6 GM6](https://data.pdbj.org/pdbjplus/data/cc/svg/GM6.svg) | GM6 | Name: | 3-(N-HYDROXYCARBOXAMIDO)-2-ISOBUTYLPROPANOYL-TRP-METHYLAMIDE | Formula: | C20 H28 N4 O4 | SMILES: | O=C(NO)CC(C(=O)NC(C(=O)NC)Cc2c1ccccc1nc2)CC(C)C | InChi: | InChI=1S/C20H28N4O4/c1-12(2)8-13(10-18(25)24-28)19(26)23-17(20(27)21-3)9-14-11-22-16-7-5-4-6-15(14)16/h4-7,11-13,17,22,28H,8-10H2,1-3H3,(H,21,27)(H,23,26)(H,24,25)/t13-,17+/m1/s1 | Synonyms: | GM6001 | Definition date: | 2003-07-03 | Last modified: | 2021-03-01 | Identifier: | (2R)-N~4~-hydroxy-N~1~-[(1S)-1-(1H-indol-3-ylmethyl)-2-(methylamino)-2-oxoethyl]-2-(2-methylpropyl)butanediamide |
|
![8PO 8PO](https://data.pdbj.org/pdbjplus/data/cc/svg/8PO.svg) | 8PO | Name: | (2R)-2-(4-hydroxyphenyl)-2-[[(2S)-2-methyl-3-sulfanyl-propanoyl]amino]ethanoic acid | Formula: | C12 H15 N O4 S | SMILES: | C[CH](CS)C(=O)N[CH](C(O)=O)c1ccc(O)cc1 | InChi: | InChI=1S/C12H15NO4S/c1-7(6-18)11(15)13-10(12(16)17)8-2-4-9(14)5-3-8/h2-5,7,10,14,18H,6H2,1H3,(H,13,15)(H,16,17)/t7-,10-/m1/s1 | Synonyms: | (R)-2-(4-hydroxyphenyl)-2-((S)-3-mercapto-2-methylpropanamido)acetic acid | Definition date: | 2017-08-24 | Last modified: | 2021-03-01 | Release date: | 2018-01-24 | Identifier: | (2~{R})-2-(4-hydroxyphenyl)-2-[[(2~{S})-2-methyl-3-sulfanyl-propanoyl]amino]ethanoic acid |
|
![GUI GUI](https://data.pdbj.org/pdbjplus/data/cc/svg/GUI.svg) | GUI | Name: | 5-CHLORO-N-[2-METHOXY-4-[4-(4-METHYLPIPERAZIN-1-YL)PIPERIDIN-1-YL]PHENYL]-N'-(2-PROPAN-2-YLSULFONYLPHENYL)PYRIMIDINE-2,4-DIAMINE | Formula: | C30 H40 Cl N7 O3 S | SMILES: | O=S(=O)(c1ccccc1Nc2nc(ncc2Cl)Nc3ccc(cc3OC)N5CCC(N4CCN(CC4)C)CC5)C(C)C | InChi: | InChI=1S/C30H40ClN7O3S/c1-21(2)42(39,40)28-8-6-5-7-26(28)33-29-24(31)20-32-30(35-29)34-25-10-9-23(19-27(25)41-4)37-13-11-22(12-14-37)38-17-15-36(3)16-18-38/h5-10,19-22H,11-18H2,1-4H3,(H2,32,33,34,35) | Synonyms: | 4-[1-(4-{[5-CHLORO-4-({2-[(1-METHYLETHYL)SULFONYL]PHENYL}AMINO)PYRIMIDIN-2-YL]AMINO}-3-METHOXYPHENYL)PIPERIDIN-4-YL]-1-METHYLPIPERAZIN-1-IUM | Definition date: | 2010-04-08 | Last modified: | 2021-03-01 | Identifier: | 5-chloro-N~2~-{2-methoxy-4-[4-(4-methylpiperazin-1-yl)piperidin-1-yl]phenyl}-N~4~-{2-[(1-methylethyl)sulfonyl]phenyl}pyrimidine-2,4-diamine |
|
![GUS GUS](https://data.pdbj.org/pdbjplus/data/cc/svg/GUS.svg) | GUS | Name: | (E)-N-[(5-carbamimidamido-2-hydroxyphenyl)methylidene]-L-alanine | Formula: | C11 H14 N4 O3 | SMILES: | C[CH](N=Cc1cc(NC(N)=N)ccc1O)C(O)=O | InChi: | InChI=1S/C11H14N4O3/c1-6(10(17)18)14-5-7-4-8(15-11(12)13)2-3-9(7)16/h2-6,16H,1H3,(H,17,18)(H4,12,13,15)/b14-5+/t6-/m0/s1 | Synonyms: | m-guanidinosalicylidene-L-alanine | Definition date: | 2009-12-03 | Last modified: | 2021-03-01 | Identifier: | (2S)-2-[(E)-(5-carbamimidamido-2-hydroxy-phenyl)methylideneamino]propanoic acid |
|
![H2V H2V](https://data.pdbj.org/pdbjplus/data/cc/svg/H2V.svg) | H2V | Name: | S-[2-({N-[(2S)-2-hydroxy-3,3-dimethyl-4-(phosphonooxy)butanoyl]-beta-alanyl}amino)ethyl] aminoethanethioate | Formula: | C13 H26 N3 O8 P S | SMILES: | O=C(SCCNC(=O)CCNC(=O)C(O)C(C)(C)COP(=O)(O)O)CN | InChi: | InChI=1S/C13H26N3O8PS/c1-13(2,8-24-25(21,22)23)11(19)12(20)16-4-3-9(17)15-5-6-26-10(18)7-14/h11,19H,3-8,14H2,1-2H3,(H,15,17)(H,16,20)(H2,21,22,23)/t11-/m1/s1 | Synonyms: | S-glycyl-4'-phosphopantetheine | Definition date: | 2012-09-21 | Last modified: | 2021-03-01 | Release date: | 2013-03-06 | Identifier: | S-[2-({N-[(2S)-2-hydroxy-3,3-dimethyl-4-(phosphonooxy)butanoyl]-beta-alanyl}amino)ethyl] aminoethanethioate |
|
![H37 H37](https://data.pdbj.org/pdbjplus/data/cc/svg/H37.svg) | H37 | Name: | D-phenylalanyl-N-[(3S)-6-carbamimidamido-1-chloro-2-oxohexan-3-yl]-L-phenylalaninamide | Formula: | C25 H33 Cl N6 O3 | SMILES: | ClCC(=O)C(NC(=O)C(NC(=O)C(N)Cc1ccccc1)Cc2ccccc2)CCCNC(=[N@H])N | InChi: | InChI=1S/C25H33ClN6O3/c26-16-22(33)20(12-7-13-30-25(28)29)31-24(35)21(15-18-10-5-2-6-11-18)32-23(34)19(27)14-17-8-3-1-4-9-17/h1-6,8-11,19-21H,7,12-16,27H2,(H,31,35)(H,32,34)(H4,28,29,30)/t19-,20+,21+/m1/s1 | Synonyms: | FFRCK | Definition date: | 2010-11-09 | Last modified: | 2021-03-01 | Identifier: | D-phenylalanyl-N-[(3S)-6-carbamimidamido-1-chloro-2-oxohexan-3-yl]-L-phenylalaninamide |
|
![AF9 AF9](https://data.pdbj.org/pdbjplus/data/cc/svg/AF9.svg) | AF9 | Name: | 5-[2,4-bis(azanyl)pyrimidin-5-yl]oxy-2-methoxy-4-propan-2-yl-benzenesulfonamide | Formula: | C14 H19 N5 O4 S | SMILES: | COc1cc(C(C)C)c(Oc2cnc(N)nc2N)cc1[S](N)(=O)=O | InChi: | InChI=1S/C14H19N5O4S/c1-7(2)8-4-10(22-3)12(24(17,20)21)5-9(8)23-11-6-18-14(16)19-13(11)15/h4-7H,1-3H3,(H2,17,20,21)(H4,15,16,18,19) | Synonyms: | AF-219 | Definition date: | 2017-12-05 | Last modified: | 2021-03-01 | Release date: | 2018-04-04 | Identifier: | 5-[2,4-bis(azanyl)pyrimidin-5-yl]oxy-2-methoxy-4-propan-2-yl-benzenesulfonamide |
|
![AHE AHE](https://data.pdbj.org/pdbjplus/data/cc/svg/AHE.svg) | AHE | Name: | 2-AMINO-4-[1-CARBOXYMETHYL-CARBAMOYL)-2-HYDROXYMETHYLSULFANYL-ETHYLCARBAMOYL]-BUTYRIC ACID | Formula: | C11 H19 N3 O7 S | SMILES: | O=C(NC(C(=O)NCC(=O)O)CSCO)CCC(C(=O)O)N | InChi: | InChI=1S/C11H19N3O7S/c12-6(11(20)21)1-2-8(16)14-7(4-22-5-15)10(19)13-3-9(17)18/h6-7,15H,1-5,12H2,(H,13,19)(H,14,16)(H,17,18)(H,20,21)/t6-,7-/m0/s1 | Synonyms: | S-HYDROXYMETHYL GLUTATHIONE | Definition date: | 2002-08-27 | Last modified: | 2021-03-01 | Identifier: | L-gamma-glutamyl-S-(hydroxymethyl)-L-cysteinylglycine |
|
![AOO AOO](https://data.pdbj.org/pdbjplus/data/cc/svg/AOO.svg) | AOO | Name: | N-ethyl-6-methoxy-N'-(1-methylethyl)-1,3,5-triazine-2,4-diamine | Formula: | C9 H17 N5 O | SMILES: | O(c1nc(nc(n1)NC(C)C)NCC)C | InChi: | InChI=1S/C9H17N5O/c1-5-10-7-12-8(11-6(2)3)14-9(13-7)15-4/h6H,5H2,1-4H3,(H2,10,11,12,13,14) | Synonyms: | Atraton | Definition date: | 2010-03-05 | Last modified: | 2021-03-01 | Identifier: | N-ethyl-6-methoxy-N'-(propan-2-yl)-1,3,5-triazine-2,4-diamine |
|
![HBN HBN](https://data.pdbj.org/pdbjplus/data/cc/svg/HBN.svg) | HBN | Name: | N-(2-NAPHTHYL)HISTIDINAMIDE | Formula: | C16 H16 N4 O | SMILES: | O=C(Nc2cc1ccccc1cc2)C(N)Cc3cncn3 | InChi: | InChI=1S/C16H16N4O/c17-15(8-14-9-18-10-19-14)16(21)20-13-6-5-11-3-1-2-4-12(11)7-13/h1-7,9-10,15H,8,17H2,(H,18,19)(H,20,21)/t15-/m1/s1 | Synonyms: | L-HISTIDINE BETA NAPHTHYLAMIDE | Definition date: | 2004-04-05 | Last modified: | 2021-03-01 | Identifier: | N-naphthalen-2-yl-D-histidinamide |
|
![HBY HBY](https://data.pdbj.org/pdbjplus/data/cc/svg/HBY.svg) | HBY | Name: | (S)-4-ISOPROPOXYCARBONYL-6-METHOXY-3-METHYLTHIOMETHYL-3,4-DIHYDROQUINOXALIN-2(1H)-THIONE | Formula: | C15 H20 N2 O3 S2 | SMILES: | S=C2Nc1c(cc(OC)cc1)N(C(=O)OC(C)C)C2CSC | InChi: | InChI=1S/C15H20N2O3S2/c1-9(2)20-15(18)17-12-7-10(19-3)5-6-11(12)16-14(21)13(17)8-22-4/h5-7,9,13H,8H2,1-4H3,(H,16,21)/t13-/m0/s1 | Synonyms: | HBY 097 | Definition date: | 1999-07-08 | Last modified: | 2021-03-01 | Identifier: | 1-methylethyl (2S)-7-methoxy-2-[(methylsulfanyl)methyl]-3-thioxo-3,4-dihydroquinoxaline-1(2H)-carboxylate |
|
![HC5 HC5](https://data.pdbj.org/pdbjplus/data/cc/svg/HC5.svg) | HC5 | Name: | (R)-3-CARBOXY-2-(HEXANOYLOXY)-N,N,N-TRIMETHYLPROPAN-1-AMINIUM | Formula: | C13 H26 N O4 | SMILES: | O=C(O)CC(OC(=O)CCCCC)C[N+](C)(C)C | InChi: | InChI=1S/C13H25NO4/c1-5-6-7-8-13(17)18-11(9-12(15)16)10-14(2,3)4/h11H,5-10H2,1-4H3/p+1/t11-/m1/s1 | Synonyms: | HEXANOYLCARNITINE | Definition date: | 2006-05-26 | Last modified: | 2021-03-01 | Identifier: | (2R)-3-carboxy-2-(hexanoyloxy)-N,N,N-trimethylpropan-1-aminium |
|
![HDC HDC](https://data.pdbj.org/pdbjplus/data/cc/svg/HDC.svg) | HDC | Name: | 3R-HYDROXYDECANOYL-COENZYME A | Formula: | C31 H54 N7 O18 P3 S | SMILES: | O=C(SCCNC(=O)CCNC(=O)C(O)C(C)(C)COP(=O)(O)OP(=O)(O)OCC3OC(n2cnc1c(ncnc12)N)C(O)C3OP(=O)(O)O)CC(O)CCCCCCC | InChi: | InChI=1S/C31H54N7O18P3S/c1-4-5-6-7-8-9-19(39)14-22(41)60-13-12-33-21(40)10-11-34-29(44)26(43)31(2,3)16-53-59(50,51)56-58(48,49)52-15-20-25(55-57(45,46)47)24(42)30(54-20)38-18-37-23-27(32)35-17-36-28(23)38/h17-20,24-26,30,39,42-43H,4-16H2,1-3H3,(H,33,40)(H,34,44)(H,48,49)(H,50,51)(H2,32,35,36)(H2,45,46,47)/t19-,20-,24-,25-,26+,30-/m1/s1 | Synonyms: | 3R-HYDROXYDECANOYL-COA | Definition date: | 2003-06-17 | Last modified: | 2021-03-01 | Identifier: | S-{(9R,13S,15R)-17-[(2R,3S,4R,5R)-5-(6-amino-9H-purin-9-yl)-4-hydroxy-3-(phosphonooxy)tetrahydrofuran-2-yl]-9,13,15-trihydroxy-10,10-dimethyl-13,15-dioxido-4,8-dioxo-12,14,16-trioxa-3,7-diaza-13,15-diphosphaheptadec-1-yl} (3R)-3-hydroxydecanethioate (non-preferred name) |
|
![HGG HGG](https://data.pdbj.org/pdbjplus/data/cc/svg/HGG.svg) | HGG | Name: | (3R,5S,9R,21S)-1-[(2R,3S,4R,5R)-5-(6-amino-9H-purin-9-yl)-4-hydroxy-3-(phosphonooxy)tetrahydrofuran-2-yl]-3,5,9,21-tetrahydroxy-8,8-dimethyl-10,14,19-trioxo-2,4,6-trioxa-18-thia-11,15-diaza-3,5-diphosphatricosan-23-oic acid 3,5-dioxide | Formula: | C26 H42 N7 O20 P3 S | SMILES: | O=C(O)CC(O)CC(=O)SCCNC(=O)CCNC(=O)C(O)C(C)(C)COP(=O)(O)OP(=O)(O)OCC3OC(n2cnc1c(ncnc12)N)C(O)C3OP(=O)(O)O | InChi: | InChI=1S/C26H42N7O20P3S/c1-26(2,21(40)24(41)29-4-3-15(35)28-5-6-57-17(38)8-13(34)7-16(36)37)10-50-56(47,48)53-55(45,46)49-9-14-20(52-54(42,43)44)19(39)25(51-14)33-12-32-18-22(27)30-11-31-23(18)33/h11-14,19-21,25,34,39-40H,3-10H2,1-2H3,(H,28,35)(H,29,41)(H,36,37)(H,45,46)(H,47,48)(H2,27,30,31)(H2,42,43,44)/t13-,14+,19+,20+,21-,25+/m0/s1 | Synonyms: | 3-Hydroxyl Glutaryl CoA | Definition date: | 2010-04-29 | Last modified: | 2021-03-01 | Identifier: | (3R,5S,9R,21S)-1-[(2R,3S,4R,5R)-5-(6-amino-9H-purin-9-yl)-4-hydroxy-3-(phosphonooxy)tetrahydrofuran-2-yl]-3,5,9,21-tetrahydroxy-8,8-dimethyl-10,14,19-trioxo-2,4,6-trioxa-18-thia-11,15-diaza-3,5-diphosphatricosan-23-oic acid 3,5-dioxide (non-preferred name) |
|
![HH0 HH0](https://data.pdbj.org/pdbjplus/data/cc/svg/HH0.svg) | HH0 | Name: | methyl N-[(2S)-2-({(S)-hydroxy[(1R)-3-methyl-1-{[N-(3-methylbutanoyl)-L-valyl-L-valyl]amino}butyl]phosphoryl}oxy)-3-phenylpropanoyl]-L-alanyl-L-alaninate | Formula: | C36 H60 N5 O10 P | SMILES: | O=C(OC)C(NC(=O)C(NC(=O)C(OP(=O)(O)C(NC(=O)C(NC(=O)C(NC(=O)CC(C)C)C(C)C)C(C)C)CC(C)C)Cc1ccccc1)C)C | InChi: | InChI=1S/C36H60N5O10P/c1-20(2)17-28(42)39-30(22(5)6)35(46)41-31(23(7)8)34(45)40-29(18-21(3)4)52(48,49)51-27(19-26-15-13-12-14-16-26)33(44)37-24(9)32(43)38-25(10)36(47)50-11/h12-16,20-25,27,29-31H,17-19H2,1-11H3,(H,37,44)(H,38,43)(H,39,42)(H,40,45)(H,41,46)(H,48,49)/t24-,25-,27-,29+,30-,31-/m0/s1 | Synonyms: | IVA-VAL-VAL-LEU(P)-(O)PHE-ALA-ALA-OME | Definition date: | 2010-11-02 | Last modified: | 2021-03-01 | Identifier: | methyl N-[(2S)-2-({(S)-hydroxy[(1R)-3-methyl-1-{[N-(3-methylbutanoyl)-L-valyl-L-valyl]amino}butyl]phosphoryl}oxy)-3-phenylpropanoyl]-L-alanyl-L-alaninate |
|
![HJ1 HJ1](https://data.pdbj.org/pdbjplus/data/cc/svg/HJ1.svg) | HJ1 | Name: | N-[2-(3,4-dihydroxyphenyl)ethyl]-beta-alaninamide | Formula: | C11 H16 N2 O3 | SMILES: | C(N)CC(NCCc1cc(c(cc1)O)O)=O | InChi: | InChI=1S/C11H16N2O3/c12-5-3-11(16)13-6-4-8-1-2-9(14)10(15)7-8/h1-2,7,14-15H,3-6,12H2,(H,13,16) | Synonyms: | beta-alanyl-dopamine | Definition date: | 2018-07-03 | Last modified: | 2021-03-01 | Release date: | 2019-01-30 | Identifier: | N-[2-(3,4-dihydroxyphenyl)ethyl]-beta-alaninamide |
|
![2F0 2F0](https://data.pdbj.org/pdbjplus/data/cc/svg/2F0.svg) | 2F0 | Name: | 2-chloro-5-{[(2-{3-[(1E)-N-hydroxyethanimidoyl]phenyl}propan-2-yl)carbamoyl]amino}benzamide | Formula: | C19 H21 Cl N4 O3 | SMILES: | O=C(c1cc(ccc1Cl)NC(=O)NC(c2cccc(C(=NO)C)c2)(C)C)N | InChi: | InChI=1S/C19H21ClN4O3/c1-11(24-27)12-5-4-6-13(9-12)19(2,3)23-18(26)22-14-7-8-16(20)15(10-14)17(21)25/h4-10,27H,1-3H3,(H2,21,25)(H2,22,23,26)/b24-11+ | Synonyms: | P32 | Definition date: | 2013-10-03 | Last modified: | 2021-03-01 | Release date: | 2014-07-23 | Identifier: | 2-chloro-5-{[(2-{3-[(1E)-N-hydroxyethanimidoyl]phenyl}propan-2-yl)carbamoyl]amino}benzamide |
|
![2NV 2NV](https://data.pdbj.org/pdbjplus/data/cc/svg/2NV.svg) | 2NV | Name: | 3,6,9,12,15-pentaoxaoctadecan-17-amine | Formula: | C13 H29 N O5 | SMILES: | NC(C)COCCOCCOCCOCCOCC | InChi: | InChI=1S/C13H29NO5/c1-3-15-4-5-16-6-7-17-8-9-18-10-11-19-12-13(2)14/h13H,3-12,14H2,1-2H3/t13-/m1/s1 | Synonyms: | Jeffamine ED-2001 | Definition date: | 2014-04-21 | Last modified: | 2021-03-01 | Release date: | 2014-04-30 | Identifier: | (17R)-3,6,9,12,15-pentaoxaoctadecan-17-amine |
|
![HLW HLW](https://data.pdbj.org/pdbjplus/data/cc/svg/HLW.svg) | HLW | Name: | 3-(3-chlorophenyl)-N-{2-[2-(1H-imidazol-1-yl)pyrimidin-4-yl]ethyl}propan-1-amine | Formula: | C18 H20 Cl N5 | SMILES: | Clc1cccc(c1)CCCNCCc2nc(ncc2)n3ccnc3 | InChi: | InChI=1S/C18H20ClN5/c19-16-5-1-3-15(13-16)4-2-8-20-9-6-17-7-10-22-18(23-17)24-12-11-21-14-24/h1,3,5,7,10-14,20H,2,4,6,8-9H2 | Synonyms: | N-2-(2-(1H-IMIDAZOL-1-YL)PYRIMIDIN-4-YL)ETHYL-3-(3-CHLOROPHENYL)PROPAN-1-AMINE | Definition date: | 2014-10-21 | Last modified: | 2021-03-01 | Release date: | 2014-12-24 | Identifier: | 3-(3-chlorophenyl)-N-{2-[2-(1H-imidazol-1-yl)pyrimidin-4-yl]ethyl}propan-1-amine |
|
![HMG HMG](https://data.pdbj.org/pdbjplus/data/cc/svg/HMG.svg) | HMG | Name: | 3-HYDROXY-3-METHYLGLUTARYL-COENZYME A | Formula: | C27 H39 N7 O20 P3 S | SMILES: | [O-]C(=O)CC(O)(C)CC(=O)SCCNC(=O)CCNC(=O)C(O)C(C)(C)COP([O-])(=O)OP([O-])(=O)OCC3OC(n2cnc1c(ncnc12)N)C(O)C3OP([O-])([O-])=O | InChi: | InChI=1S/C27H44N7O20P3S/c1-26(2,21(40)24(41)30-5-4-15(35)29-6-7-58-17(38)9-27(3,42)8-16(36)37)11-51-57(48,49)54-56(46,47)50-10-14-20(53-55(43,44)45)19(39)25(52-14)34-13-33-18-22(28)31-12-32-23(18)34/h12-14,19-21,25,39-40,42H,4-11H2,1-3H3,(H,29,35)(H,30,41)(H,36,37)(H,46,47)(H,48,49)(H2,28,31,32)(H2,43,44,45)/p-5/t14-,19-,20-,21+,25-,27+/m1/s1 | Synonyms: | (S)-HMG-COA | Definition date: | 1999-07-08 | Last modified: | 2021-03-01 | Identifier: | (9R,21S)-1-[(2R,3S,4R,5R)-5-(6-amino-9H-purin-9-yl)-4-hydroxy-3-(phosphonatooxy)tetrahydrofuran-2-yl]-9,21-dihydroxy-8,8,21-trimethyl-3,5-dioxido-10,14,19-trioxo-2,4,6-trioxa-18-thia-11,15-diaza-3,5-diphosphatricosan-23-oate 3,5-dioxide (non-preferred name) |
|
![HNC HNC](https://data.pdbj.org/pdbjplus/data/cc/svg/HNC.svg) | HNC | Name: | S-[(1S,2R)-2-hydroxy-1-(2-oxoethyl)heptyl]-L-cysteine | Formula: | C12 H23 N O4 S | SMILES: | O=C(O)C(N)CSC(C(O)CCCCC)CC=O | InChi: | InChI=1S/C12H23NO4S/c1-2-3-4-5-10(15)11(6-7-14)18-8-9(13)12(16)17/h7,9-11,15H,2-6,8,13H2,1H3,(H,16,17)/t9-,10+,11-/m0/s1 | Synonyms: | Cysteine covalently modified with 4-hydroxy-2-nonenal | Definition date: | 2009-09-17 | Last modified: | 2021-03-01 | Identifier: | S-[(3S,4R)-4-hydroxy-1-oxononan-3-yl]-L-cysteine |
|
![HS3 HS3](https://data.pdbj.org/pdbjplus/data/cc/svg/HS3.svg) | HS3 | Name: | (2R)-3-hydroxy-2-[(4-methoxyphenyl)sulfonylamino]-N-oxo-propanamide | Formula: | C10 H12 N2 O6 S | SMILES: | O=NC(=O)C(NS(=O)(=O)c1ccc(OC)cc1)CO | InChi: | InChI=1S/C10H12N2O6S/c1-18-7-2-4-8(5-3-7)19(16,17)12-9(6-13)10(14)11-15/h2-5,9,12-13H,6H2,1H3/t9-/m1/s1 | Synonyms: | (R)-N-(3-hydroxy-1-nitroso-1-oxopropan-2-yl)-4-methoxybenzenesulfonamide | Definition date: | 2008-11-04 | Last modified: | 2021-03-01 | Identifier: | N~2~-[(4-methoxyphenyl)sulfonyl]-N-oxo-D-serinamide |
|
![HS9 HS9](https://data.pdbj.org/pdbjplus/data/cc/svg/HS9.svg) | HS9 | Name: | N-ALPHA-METHYL-L-HISTIDINAMIDE | Formula: | C7 H12 N4 O | SMILES: | O=C(N)C(NC)Cc1ncnc1 | InChi: | InChI=1S/C7H12N4O/c1-9-6(7(8)12)2-5-3-10-4-11-5/h3-4,6,9H,2H2,1H3,(H2,8,12)(H,10,11)/t6-/m0/s1 | Synonyms: | N-METHYL-L-HISTIDINAMIDE | Definition date: | 2009-09-02 | Last modified: | 2021-03-01 | Identifier: | Nalpha-methyl-L-histidinamide |
|