![XOC XOC](https://data.pdbj.org/pdbjplus/data/cc/svg/XOC.svg) | XOC | Name: | N-phenothiazin-10-yl-2-piperidin-1-yl-ethanamide | Formula: | C19 H21 N3 O S | SMILES: | O=C(CN1CCCCC1)NN2c3ccccc3Sc4ccccc24 | InChi: | InChI=1S/C19H21N3OS/c23-19(14-21-12-6-1-7-13-21)20-22-15-8-2-4-10-17(15)24-18-11-5-3-9-16(18)22/h2-5,8-11H,1,6-7,12-14H2,(H,20,23) | Synonyms: | FD44 | Definition date: | 2015-07-27 | Last modified: | 2021-03-01 | Release date: | 2017-01-25 | Identifier: | N-phenothiazin-10-yl-2-piperidin-1-yl-ethanamide |
|
![TCI TCI](https://data.pdbj.org/pdbjplus/data/cc/svg/TCI.svg) | TCI | Name: | (6aR,10aR)-6,6,9-trimethyl-3-pentyl-6a,7,8,10a-tetrahydro-6H-benzo[c]chromen-1-ol | Formula: | C21 H30 O2 | SMILES: | CCCCCc1cc(O)c2[CH]3C=C(C)CC[CH]3C(C)(C)Oc2c1 | InChi: | InChI=1S/C21H30O2/c1-5-6-7-8-15-12-18(22)20-16-11-14(2)9-10-17(16)21(3,4)23-19(20)13-15/h11-13,16-17,22H,5-10H2,1-4H3/t16-,17-/m1/s1 | Synonyms: | Tetrahydrocannabinol | Definition date: | 2010-02-23 | Last modified: | 2021-03-01 | Identifier: | (6aR,10aR)-6,6,9-trimethyl-3-pentyl-6a,7,8,10a-tetrahydrobenzo[c]isochromen-1-ol |
|
![RPR RPR](https://data.pdbj.org/pdbjplus/data/cc/svg/RPR.svg) | RPR | Name: | 3-[(3'-AMINOMETHYL-BIPHENYL-4-CARBONYL)-AMINO]-2-(3-CARBAMIMIDOYL-BENZYL)-BUTYRIC ACID METHYL ESTER | Formula: | C27 H30 N4 O3 | SMILES: | O=C(OC)C(Cc1cc(C(=[N@H])N)ccc1)C(NC(=O)c3ccc(c2cccc(c2)CN)cc3)C | InChi: | InChI=1S/C27H30N4O3/c1-17(24(27(33)34-2)15-18-5-3-8-23(13-18)25(29)30)31-26(32)21-11-9-20(10-12-21)22-7-4-6-19(14-22)16-28/h3-14,17,24H,15-16,28H2,1-2H3,(H3,29,30)(H,31,32)/t17-,24-/m1/s1 | Synonyms: | RPR128515 | Definition date: | 2000-05-22 | Last modified: | 2021-03-01 | Identifier: | methyl (2R,3R)-3-({[3'-(aminomethyl)biphenyl-4-yl]carbonyl}amino)-2-(3-carbamimidoylbenzyl)butanoate |
|
![X8W X8W](https://data.pdbj.org/pdbjplus/data/cc/svg/X8W.svg) | X8W | Name: | (2E)-3-(4-hydroxyphenyl)-1-(2,4,6-trihydroxyphenyl)prop-2-en-1-one | Formula: | C15 H12 O5 | SMILES: | O=C(c1c(O)cc(O)cc1O)C=Cc2ccc(O)cc2 | InChi: | InChI=1S/C15H12O5/c16-10-4-1-9(2-5-10)3-6-12(18)15-13(19)7-11(17)8-14(15)20/h1-8,16-17,19-20H | Synonyms: | NARINGENIN CHALCONE | Definition date: | 2014-04-24 | Last modified: | 2021-03-01 | Release date: | 2015-04-08 | Identifier: | (2E)-3-(4-hydroxyphenyl)-1-(2,4,6-trihydroxyphenyl)prop-2-en-1-one |
|
![TCU TCU](https://data.pdbj.org/pdbjplus/data/cc/svg/TCU.svg) | TCU | Name: | 5-HEXYL-2-(2-METHYLPHENOXY)PHENOL | Formula: | C19 H24 O2 | SMILES: | O(c1c(cccc1)C)c2ccc(cc2O)CCCCCC | InChi: | InChI=1S/C19H24O2/c1-3-4-5-6-10-16-12-13-19(17(20)14-16)21-18-11-8-7-9-15(18)2/h7-9,11-14,20H,3-6,10H2,1-2H3 | Synonyms: | 2-(O-TOLYLOXY)-5-HEXYLPHENOL | Definition date: | 2010-01-10 | Last modified: | 2021-03-01 | Identifier: | 5-hexyl-2-(2-methylphenoxy)phenol |
|
![SY2 SY2](https://data.pdbj.org/pdbjplus/data/cc/svg/SY2.svg) | SY2 | Name: | N-{[(1S)-2-methyl-1-{[(5S,8S)-5-(1-methylethyl)-2,7-dioxo-1,6-diazacyclododec-3-en-8-yl]carbamoyl}propyl]carbamoyl}-L-valine | Formula: | C24 H41 N5 O6 | SMILES: | O=C(O)C(NC(=O)NC(C(=O)NC1C(=O)NC(C=CC(=O)NCCCC1)C(C)C)C(C)C)C(C)C | InChi: | InChI=1S/C24H41N5O6/c1-13(2)16-10-11-18(30)25-12-8-7-9-17(21(31)26-16)27-22(32)19(14(3)4)28-24(35)29-20(15(5)6)23(33)34/h10-11,13-17,19-20H,7-9,12H2,1-6H3,(H,25,30)(H,26,31)(H,27,32)(H,33,34)(H2,28,29,35)/t16-,17+,19+,20+/m1/s1 | Synonyms: | Syringolin B | Definition date: | 2009-03-30 | Last modified: | 2021-03-01 | Identifier: | N-{[(1S)-2-methyl-1-{[(3E,5S,8S)-5-(1-methylethyl)-2,7-dioxo-1,6-diazacyclododec-3-en-8-yl]carbamoyl}propyl]carbamoyl}-L-valine |
|
![Z84 Z84](https://data.pdbj.org/pdbjplus/data/cc/svg/Z84.svg) | Z84 | Name: | 1-[3-tert-butyl-1-(4-methylphenyl)-1H-pyrazol-5-yl]-3-{4-[2-(pyridin-4-ylmethoxy)ethyl]-1,3-thiazol-2-yl}urea | Formula: | C26 H30 N6 O2 S | SMILES: | Cc1ccc(cc1)n2nc(cc2NC(=O)Nc3scc(CCOCc4ccncc4)n3)C(C)(C)C | InChi: | InChI=1S/C26H30N6O2S/c1-18-5-7-21(8-6-18)32-23(15-22(31-32)26(2,3)4)29-24(33)30-25-28-20(17-35-25)11-14-34-16-19-9-12-27-13-10-19/h5-10,12-13,15,17H,11,14,16H2,1-4H3,(H2,28,29,30,33) | Synonyms: | 1-(3-tert-butyl-1-p-tolyl-1H-pyrazol-5-yl)-3-(4-(2-(pyridin-4-ylmethoxy)ethyl)thiazol-2-yl)urea | Definition date: | 2010-01-24 | Last modified: | 2021-03-01 | Identifier: | 1-[5-tert-butyl-2-(4-methylphenyl)pyrazol-3-yl]-3-[4-[2-(pyridin-4-ylmethoxy)ethyl]-1,3-thiazol-2-yl]urea |
|
![S4E S4E](https://data.pdbj.org/pdbjplus/data/cc/svg/S4E.svg) | S4E | Name: | N-(2-(2-cyclopropylethoxy)pyrimidin-5-yl)-7-methoxy-6-(piperidin-4-ylmethoxy)quinazolin-4-amine | Formula: | C24 H30 N6 O3 | SMILES: | COc1cc2ncnc(Nc3cnc(OCCC4CC4)nc3)c2cc1OCC5CCNCC5 | InChi: | InChI=1S/C24H30N6O3/c1-31-21-11-20-19(10-22(21)33-14-17-4-7-25-8-5-17)23(29-15-28-20)30-18-12-26-24(27-13-18)32-9-6-16-2-3-16/h10-13,15-17,25H,2-9,14H2,1H3,(H,28,29,30) | Synonyms: | ~{N}-[2-(2-cyclopropylethoxy)pyrimidin-5-yl]-7-methoxy-6-(piperidin-4-ylmethoxy)quinazolin-4-amine | Definition date: | 2020-11-06 | Last modified: | 2021-03-01 | Release date: | 2021-03-03 | Identifier: | ~{N}-[2-(2-cyclopropylethoxy)pyrimidin-5-yl]-7-methoxy-6-(piperidin-4-ylmethoxy)quinazolin-4-amine |
|
![Z85 Z85](https://data.pdbj.org/pdbjplus/data/cc/svg/Z85.svg) | Z85 | Name: | 1-{4-[2-(benzyloxy)ethyl]-1,3-thiazol-2-yl}-3-[3-tert-butyl-1-(4-methylphenyl)-1H-pyrazol-5-yl]urea | Formula: | C27 H31 N5 O2 S | SMILES: | Cc1ccc(cc1)n2nc(cc2NC(=O)Nc3scc(CCOCc4ccccc4)n3)C(C)(C)C | InChi: | InChI=1S/C27H31N5O2S/c1-19-10-12-22(13-11-19)32-24(16-23(31-32)27(2,3)4)29-25(33)30-26-28-21(18-35-26)14-15-34-17-20-8-6-5-7-9-20/h5-13,16,18H,14-15,17H2,1-4H3,(H2,28,29,30,33) | Synonyms: | 1-(4-(2-(benzyloxy)ethyl)thiazol-2-yl)-3-(3-tert-butyl-1-p-tolyl-1H-pyrazol-5-yl)urea | Definition date: | 2010-01-24 | Last modified: | 2021-03-01 | Identifier: | 1-[5-tert-butyl-2-(4-methylphenyl)pyrazol-3-yl]-3-[4-(2-phenylmethoxyethyl)-1,3-thiazol-2-yl]urea |
|
![WSK WSK](https://data.pdbj.org/pdbjplus/data/cc/svg/WSK.svg) | WSK | Name: | (2S)-1-(3,6-DIBROMO-9H-CARBAZOL-9-YL)-3-(DIMETHYLAMINO)PROPAN-2-OL | Formula: | C17 H18 Br2 N2 O | SMILES: | Brc3cc2c1cc(Br)ccc1n(c2cc3)CC(O)CN(C)C | InChi: | InChI=1S/C17H18Br2N2O/c1-20(2)9-13(22)10-21-16-5-3-11(18)7-14(16)15-8-12(19)4-6-17(15)21/h3-8,13,22H,9-10H2,1-2H3/t13-/m0/s1 | Synonyms: | (S)-WISKOSTATIN | Definition date: | 2004-06-01 | Last modified: | 2021-03-01 | Identifier: | (2S)-1-(3,6-dibromo-9H-carbazol-9-yl)-3-(dimethylamino)propan-2-ol |
|
![Z86 Z86](https://data.pdbj.org/pdbjplus/data/cc/svg/Z86.svg) | Z86 | Name: | (4-{5-[({4-[2-(benzyloxy)ethyl]-1,3-thiazol-2-yl}carbamoyl)amino]-3-tert-butyl-1H-pyrazol-1-yl}phenyl)acetic acid | Formula: | C28 H31 N5 O4 S | SMILES: | CC(C)(C)c1cc(NC(=O)Nc2scc(CCOCc3ccccc3)n2)n(n1)c4ccc(CC(O)=O)cc4 | InChi: | InChI=1S/C28H31N5O4S/c1-28(2,3)23-16-24(33(32-23)22-11-9-19(10-12-22)15-25(34)35)30-26(36)31-27-29-21(18-38-27)13-14-37-17-20-7-5-4-6-8-20/h4-12,16,18H,13-15,17H2,1-3H3,(H,34,35)(H2,29,30,31,36) | Synonyms: | 2-(4-(5-(3-(4-(2-(benzyloxy)ethyl)thiazol-2-yl)ureido)-3-tert-butyl-1H-pyrazol-1-yl)phenyl)acetic acid | Definition date: | 2010-01-24 | Last modified: | 2021-03-01 | Identifier: | 2-[4-[3-tert-butyl-5-[[4-(2-phenylmethoxyethyl)-1,3-thiazol-2-yl]carbamoylamino]pyrazol-1-yl]phenyl]ethanoic acid |
|
![WA1 WA1](https://data.pdbj.org/pdbjplus/data/cc/svg/WA1.svg) | WA1 | Name: | 1-phenyl-3-(1,2,3-thiadiazol-5-yl)urea | Formula: | C9 H8 N4 O S | SMILES: | O=C(Nc1ccccc1)Nc2snnc2 | InChi: | InChI=1S/C9H8N4OS/c14-9(12-8-6-10-13-15-8)11-7-4-2-1-3-5-7/h1-6H,(H2,11,12,14) | Synonyms: | THIDIAZURON | Definition date: | 2011-07-29 | Last modified: | 2021-03-01 | Identifier: | 1-phenyl-3-(1,2,3-thiadiazol-5-yl)urea |
|
![ZRA ZRA](https://data.pdbj.org/pdbjplus/data/cc/svg/ZRA.svg) | ZRA | Name: | BENZOYL-ARGININE-ALANINE-FLUORO-METHYL KETONE | Formula: | C18 H28 F N5 O4 | SMILES: | FCC(=O)C(NC(=O)C(NC(=O)OCc1ccccc1)CCCNC(N)N)C | InChi: | InChI=1S/C18H28FN5O4/c1-12(15(25)10-19)23-16(26)14(8-5-9-22-17(20)21)24-18(27)28-11-13-6-3-2-4-7-13/h2-4,6-7,12,14,17,22H,5,8-11,20-21H2,1H3,(H,23,26)(H,24,27)/t12-,14-/m0/s1 | Synonyms: | benzyl [(2S)-5-[(diaminomethyl)amino]-1-{[(2S)-4-fluoro-3-oxobutan-2-yl]amino}-1-oxopentan-2-yl]carbamate | Definition date: | 1999-07-08 | Last modified: | 2021-03-01 | Identifier: | benzyl [(2S)-5-[(diaminomethyl)amino]-1-{[(2S)-4-fluoro-3-oxobutan-2-yl]amino}-1-oxopentan-2-yl]carbamate |
|
![TRW TRW](https://data.pdbj.org/pdbjplus/data/cc/svg/TRW.svg) | TRW | Name: | TRW3-(2-AMINO-3-HYDROXY-PROPYL)-6-(N'-CYCLOHEXYL-HYDRAZINO)OCTAHYDRO-INDOL-7-OL | Formula: | C17 H18 N4 O2 | SMILES: | O=CC(N)Cc2c1ccc(c(O)c1nc2)NNc3ccccc3 | InChi: | InChI=1S/C17H18N4O2/c18-12(10-22)8-11-9-19-16-14(11)6-7-15(17(16)23)21-20-13-4-2-1-3-5-13/h1-7,9-10,12,19-21,23H,8,18H2/t12-/m0/s1 | Synonyms: | PHENYLHYDRAZINE ADDUCT | Definition date: | 2002-08-19 | Last modified: | 2021-03-01 | Identifier: | (2S)-2-amino-3-[7-hydroxy-6-(2-phenylhydrazino)-1H-indol-3-yl]propanal |
|
![RCB RCB](https://data.pdbj.org/pdbjplus/data/cc/svg/RCB.svg) | RCB | Name: | 4-nitrophenyl beta-D-glucopyranosyl-(1->4)-beta-D-glucopyranosyl-(1->4)-beta-D-glucopyranoside | Formula: | C24 H35 N O18 | SMILES: | [O-][N+](=O)c4ccc(OC3OC(C(OC2OC(C(OC1OC(CO)C(O)C(O)C1O)C(O)C2O)CO)C(O)C3O)CO)cc4 | InChi: | InChI=1S/C24H35NO18/c26-5-10-13(29)14(30)17(33)23(39-10)42-21-12(7-28)41-24(19(35)16(21)32)43-20-11(6-27)40-22(18(34)15(20)31)38-9-3-1-8(2-4-9)25(36)37/h1-4,10-24,26-35H,5-7H2/t10-,11-,12-,13-,14+,15-,16-,17-,18-,19-,20-,21-,22-,23+,24+/m1/s1 | Synonyms: | p-nitrophenyl beta-D-cellotrioside | Definition date: | 2009-10-23 | Last modified: | 2021-03-01 | Identifier: | 4-nitrophenyl beta-D-glucopyranosyl-(1->4)-beta-D-glucopyranosyl-(1->4)-beta-D-glucopyranoside |
|
![ULI ULI](https://data.pdbj.org/pdbjplus/data/cc/svg/ULI.svg) | ULI | Name: | tetracontane | Formula: | C40 H82 | SMILES: | C(CCCCCCCCCCCCCCCCCCCCCC)CCCCCCCCCCCCCCCCC | InChi: | InChI=1S/C40H82/c1-3-5-7-9-11-13-15-17-19-21-23-25-27-29-31-33-35-37-39-40-38-36-34-32-30-28-26-24-22-20-18-16-14-12-10-8-6-4-2/h3-40H2,1-2H3 | Synonyms: | n-Tetracontane | Definition date: | 2011-08-18 | Last modified: | 2021-03-01 | Identifier: | tetracontane |
|
![RCC RCC](https://data.pdbj.org/pdbjplus/data/cc/svg/RCC.svg) | RCC | Name: | 3-{(2Z,3S,4S)-5-[(Z)-(4-ethenyl-3-methyl-5-oxo-1,5-dihydro-2H-pyrrol-2-ylidene)methyl]-2-[(5R)-2-[(3-ethyl-5-formyl-4-methyl-1H-pyrrol-2-yl)methyl]-5-(methoxycarbonyl)-3-methyl-4-oxo-4,5-dihydrocyclopenta[b]pyrrol-6(1H)-ylidene]-4-methyl-3,4-dihydro-2H-pyrrol-3-yl}propanoic acid | Formula: | C35 H38 N4 O7 | SMILES: | O=C5C(C=C)=C(C(=CC4=N/C(=C2c1nc(c(c1C(=O)C2C(=O)OC)C)Cc3c(c(c(C=O)n3)C)CC)C(CCC(=O)O)C4C)N5)C | InChi: | InChI=1S/C35H38N4O7/c1-8-19-15(3)26(14-40)36-25(19)13-24-18(6)28-32(38-24)29(30(33(28)43)35(45)46-7)31-21(10-11-27(41)42)17(5)22(37-31)12-23-16(4)20(9-2)34(44)39-23/h9,12,14,17,21,30,36,38H,2,8,10-11,13H2,1,3-7H3,(H,39,44)(H,41,42)/b23-12-,31-29-/t17-,21-,30+/m0/s1 | Synonyms: | Red chlorophyll catabolite | Definition date: | 2010-04-02 | Last modified: | 2021-03-01 | Identifier: | 3-{(2Z,3S,4S)-5-[(Z)-(4-ethenyl-3-methyl-5-oxo-1,5-dihydro-2H-pyrrol-2-ylidene)methyl]-2-[(5R)-2-[(3-ethyl-5-formyl-4-methyl-1H-pyrrol-2-yl)methyl]-5-(methoxycarbonyl)-3-methyl-4-oxo-4,5-dihydrocyclopenta[b]pyrrol-6(1H)-ylidene]-4-methyl-3,4-dihydro-2H-pyrrol-3-yl}propanoic acid |
|
![5VO 5VO](https://data.pdbj.org/pdbjplus/data/cc/svg/5VO.svg) | 5VO | Name: | 6-oxidanylidene-6-phenyl-hexanoic acid | Formula: | C12 H14 O3 | SMILES: | OC(=O)CCCCC(=O)c1ccccc1 | InChi: | InChI=1S/C12H14O3/c13-11(8-4-5-9-12(14)15)10-6-2-1-3-7-10/h1-3,6-7H,4-5,8-9H2,(H,14,15) | Synonyms: | 5-Benzoylpentanoic Acid | Definition date: | 2015-12-10 | Last modified: | 2021-03-01 | Release date: | 2015-12-23 | Identifier: | 6-oxidanylidene-6-phenyl-hexanoic acid |
|
![YOL YOL](https://data.pdbj.org/pdbjplus/data/cc/svg/YOL.svg) | YOL | Name: | [[2,2'-[4-CARBOXY-1,2-PHENYLENEBIS(NITRILOMETHYLIDYNE)]BIS[PHENOLATO]](2-)-N,N',O,O']-IRON | Formula: | C21 H14 Fe N2 O4 | SMILES: | O=C(O)c6ccc1c([N+]4=Cc5ccccc5O[Fe]24Oc3c(C=[N+]12)cccc3)c6 | InChi: | InChI=1S/C21H16N2O4.Fe/c24-19-7-3-1-5-15(19)12-22-17-10-9-14(21(26)27)11-18(17)23-13-16-6-2-4-8-20(16)25 | Synonyms: | SALOPHEN-10-CARBOXYLATE IRON CHELATE | Definition date: | 2005-03-09 | Last modified: | 2021-03-01 | Identifier: | [3,4-bis({[2-(hydroxy-kappaO)phenyl]methylidene}amino-kappaN)benzoato(2-)]iron(2+) |
|
![XPE XPE](https://data.pdbj.org/pdbjplus/data/cc/svg/XPE.svg) | XPE | Name: | 3,6,9,12,15,18,21,24,27-NONAOXANONACOSANE-1,29-DIOL | Formula: | C20 H42 O11 | SMILES: | O(CCOCCOCCO)CCOCCOCCOCCOCCOCCOCCO | InChi: | InChI=1S/C20H42O11/c21-1-3-23-5-7-25-9-11-27-13-15-29-17-19-31-20-18-30-16-14-28-12-10-26-8-6-24-4-2-22/h21-22H,1-20H2 | Synonyms: | DECAETHYLENE GLYCOL | Definition date: | 2004-06-23 | Last modified: | 2021-03-01 | Identifier: | 3,6,9,12,15,18,21,24,27-nonaoxanonacosane-1,29-diol |
|
![YOM YOM](https://data.pdbj.org/pdbjplus/data/cc/svg/YOM.svg) | YOM | Name: | 2,2'-[1,2-PHENYLENEBIS(NITRILOMETHYLIDYNE)]BIS[PHENOLATO]](2-)-N,N',O,O']-IRON | Formula: | C20 H14 Fe N2 O2 | SMILES: | O1c6c(C=[N+]2c5c([N+]3=Cc4ccccc4O[Fe]123)cccc5)cccc6 | InChi: | InChI=1S/C20H16N2O2.Fe/c23-19-11-5-1-7-15(19)13-21-17-9-3-4-10-18(17)22-14-16-8-2-6-12-20(16)24 | Synonyms: | SALOPHEN IRON CHELATE | Definition date: | 2005-03-15 | Last modified: | 2021-03-01 | Identifier: | [2,2'-{benzene-1,2-diylbis[(nitrilo-kappaN)methylylidene]}diphenolato(2-)-kappaO]iron(2+) |
|
![VF1 VF1](https://data.pdbj.org/pdbjplus/data/cc/svg/VF1.svg) | VF1 | Name: | (2R,3S,3aR,5aR,6R,11bR,11cS)-3a-methoxy-3,14-dimethyl-2-phenyl-2,3,3a,6,7,11c-hexahydro-1H-6,11b-(epiminoethano)-3,5a-methanonaphtho[2,1-g]indol-10-ol | Formula: | C28 H32 N2 O2 | SMILES: | C2CN(C)C3Cc1ccc(O)cc1C24C36C=CC5(C4NC(C5(C6)C)c7ccccc7)OC | InChi: | InChI=1S/C28H32N2O2/c1-25-17-26-11-12-28(25,32-3)24(29-23(25)18-7-5-4-6-8-18)27(26)13-14-30(2)22(26)15-19-9-10-20(31)16-21(19)27/h4-12,16,22-24,29,31H,13-15,17H2,1-3H3/t22-,23-,24+,25+,26-,27+,28+/m1/s1 | Synonyms: | BU72 | Definition date: | 2020-08-05 | Last modified: | 2021-03-01 | Release date: | 2021-02-10 | Identifier: | (2R,3S,3aR,5aR,6R,11bR,11cS)-3a-methoxy-3,14-dimethyl-2-phenyl-2,3,3a,6,7,11c-hexahydro-1H-6,11b-(epiminoethano)-3,5a-methanonaphtho[2,1-g]indol-10-ol |
|
![TS2 TS2](https://data.pdbj.org/pdbjplus/data/cc/svg/TS2.svg) | TS2 | Name: | 2-AMINO-4-[4-(4-AMINO-4-CARBOXY-BUTYRYLAMINO)-5,8,19,22-TETRAOXO-1,2-DITHIA-6,9,13,18,21-PENTAAZA-CYCLOTETRACOS-23-YLCARBAMOYL]-BUTYRIC ACID | Formula: | C27 H47 N9 O10 S2 | SMILES: | O=C(O)C(N)CCC(=O)NC1C(=O)NCC(=O)NCCCCNCCCNC(=O)CNC(=O)C(NC(=O)CCC(C(=O)O)N)CSSC1 | InChi: | InChI=1S/C27H47N9O10S2/c28-16(26(43)44)4-6-20(37)35-18-14-47-48-15-19(36-21(38)7-5-17(29)27(45)46)25(42)34-13-23(40)32-11-3-9-30-8-1-2-10-31-22(39)12-33-24(18)41/h16-19,30H,1-15,28-29H2,(H,31,39)(H,32,40)(H,33,41)(H,34,42)(H,35,37)(H,36,38)(H,43,44)(H,45,46)/t16-,17-,18-,19-/m0/s1 | Synonyms: | RING WITH GLUTATHIONE AND SPERMIDINE | Definition date: | 1999-07-08 | Last modified: | 2021-03-01 | Identifier: | (2S,2'S)-5,5'-{[(4R,23R)-5,8,19,22-tetraoxo-1,2-dithia-6,9,13,18,21-pentaazacyclotetracosane-4,23-diyl]diimino}bis(2-amino-5-oxopentanoic acid) (non-preferred name) |
|
![XPG XPG](https://data.pdbj.org/pdbjplus/data/cc/svg/XPG.svg) | XPG | Name: | 7-[(1R,3R)-3-hydroxy-2-[(1E,3S)-3-hydroxyoct-1-en-1-yl]-5-oxocyclopentyl]heptanoic acid | Formula: | C20 H34 O5 | SMILES: | O=C(O)CCCCCCC1C(=O)CC(O)C1/C=C/C(O)CCCCC | InChi: | InChI=1S/C20H34O5/c1-2-3-6-9-15(21)12-13-17-16(18(22)14-19(17)23)10-7-4-5-8-11-20(24)25/h12-13,15-17,19,21,23H,2-11,14H2,1H3,(H,24,25)/b13-12+/t15-,16+,17+,19+/m0/s1 | Synonyms: | Prostaglandin E1 | Definition date: | 2013-09-17 | Last modified: | 2021-03-01 | Release date: | 2014-09-10 | Identifier: | (11alpha,12alpha,13E,15S)-11,15-dihydroxy-9-oxoprost-13-en-1-oic acid |
|
![WAD WAD](https://data.pdbj.org/pdbjplus/data/cc/svg/WAD.svg) | WAD | Name: | (10R)-10-hydroxyoctadecanoic acid | Formula: | C18 H36 O3 | SMILES: | C(CCCCC(CCCCCCCCC(O)=O)O)CCC | InChi: | InChI=1S/C18H36O3/c1-2-3-4-5-8-11-14-17(19)15-12-9-6-7-10-13-16-18(20)21/h17,19H,2-16H2,1H3,(H,20,21)/t17-/m1/s1 | Synonyms: | (R)-10-Hydroxystearic acid | Definition date: | 2020-10-05 | Last modified: | 2021-03-01 | Release date: | 2021-01-06 | Identifier: | (10R)-10-hydroxyoctadecanoic acid |
|