![7R0 7R0](https://data.pdbj.org/pdbjplus/data/cc/svg/7R0.svg) | 7R0 | Name: | 2-[(4E)-2-[(1S)-1-azanyl-2-(1H-imidazol-4-yl)ethyl]-4-[(4-hydroxyphenyl)methylidene]-5-oxidanylidene-imidazol-1-yl]ethanoic acid | Formula: | C17 H17 N5 O4 | SMILES: | N[CH](Cc1c[nH]cn1)C2=NC(=Cc3ccc(O)cc3)C(=O)N2CC(O)=O | InChi: | InChI=1S/C17H17N5O4/c18-13(6-11-7-19-9-20-11)16-21-14(17(26)22(16)8-15(24)25)5-10-1-3-12(23)4-2-10/h1-5,7,9,13,23H,6,8,18H2,(H,19,20)(H,24,25)/b14-5+/t13-/m0/s1 | Synonyms: | CHROMOPHORE (HIS-TYR-GLY) | Definition date: | 2021-08-21 | Last modified: | 2023-11-03 | Release date: | 2021-09-01 | Identifier: | 2-[(4~{E})-2-[(1~{S})-1-azanyl-2-(1~{H}-imidazol-4-yl)ethyl]-4-[(4-hydroxyphenyl)methylidene]-5-oxidanylidene-imidazol-1-yl]ethanoic acid |
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![7R6 7R6](https://data.pdbj.org/pdbjplus/data/cc/svg/7R6.svg) | 7R6 | Name: | 2-[(4E)-4-[(4-hydroxyphenyl)methylidene]-2-[(E)-2-(1H-imidazol-4-yl)ethenyl]-5-oxidanylidene-imidazol-1-yl]ethanoic acid | Formula: | C17 H14 N4 O4 | SMILES: | OC(=O)CN1C(=O)C(=Cc2ccc(O)cc2)N=C1C=Cc3c[nH]cn3 | InChi: | InChI=1S/C17H14N4O4/c22-13-4-1-11(2-5-13)7-14-17(25)21(9-16(23)24)15(20-14)6-3-12-8-18-10-19-12/h1-8,10,22H,9H2,(H,18,19)(H,23,24)/b6-3+,14-7+ | Synonyms: | RED CHROMOPHORE (HIS, TYR, GLY) | Definition date: | 2021-08-21 | Last modified: | 2023-11-03 | Release date: | 2021-09-01 | Identifier: | 2-[(4~{E})-4-[(4-hydroxyphenyl)methylidene]-2-[(~{E})-2-(1~{H}-imidazol-4-yl)ethenyl]-5-oxidanylidene-imidazol-1-yl]ethanoic acid |
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![BOR BOR](https://data.pdbj.org/pdbjplus/data/cc/svg/BOR.svg) | BOR | Name: | (1R)-1-AMINO-4-{[(E)-AMINO(IMINO)METHYL]AMINO}BUTYLBORONIC ACID | Formula: | C5 H15 B N4 O2 | SMILES: | OB(O)C(N)CCCNC(=[N@H])N | InChi: | InChI=1S/C5H15BN4O2/c7-4(6(11)12)2-1-3-10-5(8)9/h4,11-12H,1-3,7H2,(H4,8,9,10)/t4-/m0/s1 | Synonyms: | BORO ARGININE | Definition date: | 2003-03-24 | Last modified: | 2023-11-03 | Identifier: | [(1R)-1-amino-4-carbamimidamidobutyl]boronic acid |
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![28K 28K](https://data.pdbj.org/pdbjplus/data/cc/svg/28K.svg) | 28K | Name: | (2E)-3-{(2S)-2-[(1R)-1-hydroxyethyl]oxiran-2-yl}prop-2-enoic acid | Formula: | C7 H10 O4 | SMILES: | O=C(O)C=CC1(OC1)C(O)C | InChi: | InChI=1S/C7H10O4/c1-5(8)7(4-11-7)3-2-6(9)10/h2-3,5,8H,4H2,1H3,(H,9,10)/b3-2+/t5?,7-/m0/s1 | Definition date: | 2013-09-10 | Last modified: | 2023-11-03 | Release date: | 2014-05-21 | Identifier: | (2E)-3-{(2S)-2-[(1R)-1-hydroxyethyl]oxiran-2-yl}prop-2-enoic acid |
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![C1X C1X](https://data.pdbj.org/pdbjplus/data/cc/svg/C1X.svg) | C1X | Name: | (Z)-N~6~-[(4R,5S)-5-(2-CARBOXYETHYL)-4-(CARBOXYMETHYL)DIHYDRO-2H-THIOPYRAN-3(4H)-YLIDENE]-L-LYSINE | Formula: | C16 H26 N2 O6 S | SMILES: | O=C(O)C(N)CCCC/N=C1/CSCC(CCC(=O)O)C1CC(=O)O | InChi: | InChI=1S/C16H26N2O6S/c17-12(16(23)24)3-1-2-6-18-13-9-25-8-10(4-5-14(19)20)11(13)7-15(21)22/h10-12H,1-9,17H2,(H,19,20)(H,21,22)(H,23,24)/b18-13-/t10-,11-,12+/m1/s1 | Synonyms: | 2-AMINO-6-[5-(2-CARBOXY-ETHYL)-4-CARBOXYMETHYL-DIHYDRO-THIOPYRAN-3-YLIDENEAMINO]-HEXANOIC ACID | Definition date: | 2005-09-11 | Last modified: | 2023-11-03 | Identifier: | (E)-N~6~-[(4R,5S)-5-(2-carboxyethyl)-4-(carboxymethyl)dihydro-2H-thiopyran-3(4H)-ylidene]-L-lysine |
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![JLP JLP](https://data.pdbj.org/pdbjplus/data/cc/svg/JLP.svg) | JLP | Name: | (2S)-2-azanyl-6-[E-[5-(hydroxymethyl)-2-methyl-3-oxidanyl-pyridin-4-yl]methylideneamino]hexanoic acid | Formula: | C14 H21 N3 O4 | SMILES: | Cc1ncc(CO)c(C=NCCCC[CH](N)C(O)=O)c1O | InChi: | InChI=1S/C14H21N3O4/c1-9-13(19)11(10(8-18)6-17-9)7-16-5-3-2-4-12(15)14(20)21/h6-7,12,18-19H,2-5,8,15H2,1H3,(H,20,21)/b16-7+/t12-/m0/s1 | Definition date: | 2018-06-03 | Last modified: | 2023-11-03 | Release date: | 2019-05-29 | Identifier: | (2~{S})-2-azanyl-6-[(~{E})-[5-(hydroxymethyl)-2-methyl-3-oxidanyl-pyridin-4-yl]methylideneamino]hexanoic acid |
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![8BB 8BB](https://data.pdbj.org/pdbjplus/data/cc/svg/8BB.svg) | 8BB | Name: | trans-4-{[(E)-1-amino-2-sulfanylethenyl]carbamoyl}cyclohexanecarboxylic acid | Formula: | C10 H16 N2 O3 S | SMILES: | O=C(O)C1CCC(C(=O)NC(=CS)N)CC1 | InChi: | InChI=1S/C10H16N2O3S/c11-8(5-16)12-9(13)6-1-3-7(4-2-6)10(14)15/h5-7,16H,1-4,11H2,(H,12,13)(H,14,15)/b8-5+/t6-,7- | Definition date: | 2012-01-04 | Last modified: | 2023-11-03 | Identifier: | trans-4-{[(E)-1-amino-2-sulfanylethenyl]carbamoyl}cyclohexanecarboxylic acid |
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![PJE PJE](https://data.pdbj.org/pdbjplus/data/cc/svg/PJE.svg) | PJE | Name: | (E,4S)-4-azanyl-5-[(3S)-2-oxidanylidenepyrrolidin-3-yl]pent-2-enoic acid | Formula: | C9 H14 N2 O3 | SMILES: | N[CH](C[CH]1CCNC1=O)C=CC(O)=O | InChi: | InChI=1S/C9H14N2O3/c10-7(1-2-8(12)13)5-6-3-4-11-9(6)14/h1-2,6-7H,3-5,10H2,(H,11,14)(H,12,13)/b2-1+/t6-,7+/m0/s1 | Definition date: | 2015-11-24 | Last modified: | 2023-11-03 | Release date: | 2015-12-02 | Identifier: | (E,4S)-4-azanyl-5-[(3S)-2-oxidanylidenepyrrolidin-3-yl]pent-2-enoic acid |
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![DMT DMT](https://data.pdbj.org/pdbjplus/data/cc/svg/DMT.svg) | DMT | Name: | 3-HYDROXY-4,4-DIMETHYL-2-(METHYLAMINO)-6-OCTENOIC ACID | Formula: | C11 H21 N O3 | SMILES: | O=C(O)C(NC)C(O)C(C/C=C/C)(C)C | InChi: | InChI=1S/C11H21NO3/c1-5-6-7-11(2,3)9(13)8(12-4)10(14)15/h5-6,8-9,12-13H,7H2,1-4H3,(H,14,15)/b6-5+/t8-,9-/m0/s1 | Definition date: | 1999-07-08 | Last modified: | 2023-11-03 | Identifier: | 4-[(2E)-but-2-en-1-yl]-2,4,5-trideoxy-4-methyl-2-(methylamino)-D-arabinonic acid |
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![QYG QYG](https://data.pdbj.org/pdbjplus/data/cc/svg/QYG.svg) | QYG | Name: | {(4E)-2-[(1S)-1,4-diamino-4-oxobutyl]-4-[(4-hydroxyphenyl)methylidene]-5-oxo-4,5-dihydro-1H-imidazol-1-yl}acetic acid | Formula: | C16 H18 N4 O5 | SMILES: | C(=O)(O)CN1C(C(CCC(N)=O)N)=NC(C1=O)=Cc2ccc(O)cc2 | InChi: | InChI=1S/C16H18N4O5/c17-11(5-6-13(18)22)15-19-12(16(25)20(15)8-14(23)24)7-9-1-3-10(21)4-2-9/h1-4,7,11,21H,5-6,8,17H2,(H2,18,22)(H,23,24)/b12-7+/t11-/m0/s1 | Definition date: | 2019-01-16 | Last modified: | 2023-11-03 | Release date: | 2019-11-06 | Identifier: | {(4E)-2-[(1S)-1,4-diamino-4-oxobutyl]-4-[(4-hydroxyphenyl)methylidene]-5-oxo-4,5-dihydro-1H-imidazol-1-yl}acetic acid |
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![RC7 RC7](https://data.pdbj.org/pdbjplus/data/cc/svg/RC7.svg) | RC7 | Name: | 2-[(4Z)-4-[(4-hydroxyphenyl)methylidene]-2-[(E)-2-(1H-imidazol-4-yl)ethenyl]-5-oxidanylidene-imidazol-1-yl]ethanoic acid | Formula: | C17 H14 N4 O4 | SMILES: | OC(=O)CN1C(=O)C(=Cc2ccc(O)cc2)N=C1C=Cc3c[nH]cn3 | InChi: | InChI=1S/C17H14N4O4/c22-13-4-1-11(2-5-13)7-14-17(25)21(9-16(23)24)15(20-14)6-3-12-8-18-10-19-12/h1-8,10,22H,9H2,(H,18,19)(H,23,24)/b6-3+,14-7- | Synonyms: | RED CHROMOPHORE (HIS-TYR-GLY) | Definition date: | 2007-03-23 | Last modified: | 2023-11-03 | Identifier: | 2-[(4~{Z})-4-[(4-hydroxyphenyl)methylidene]-2-[(~{E})-2-(1~{H}-imidazol-4-yl)ethenyl]-5-oxidanylidene-imidazol-1-yl]ethanoic acid |
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![RX9 RX9](https://data.pdbj.org/pdbjplus/data/cc/svg/RX9.svg) | RX9 | Name: | Dehydroisoleucine | Formula: | C6 H11 N O2 | SMILES: | CCC(C)=C(N)C(O)=O | InChi: | InChI=1S/C6H11NO2/c1-3-4(2)5(7)6(8)9/h3,7H2,1-2H3,(H,8,9)/b5-4+ | Synonyms: | (E)-2-azanyl-3-methyl-pent-2-enoic acid | Definition date: | 2022-12-09 | Last modified: | 2023-11-03 | Release date: | 2023-01-18 | Identifier: | (~{E})-2-azanyl-3-methyl-pent-2-enoic acid |
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![UGU UGU](https://data.pdbj.org/pdbjplus/data/cc/svg/UGU.svg) | UGU | Name: | (Z)-7-[(1R,2R,3R,5S)-3,5-bis(oxidanyl)-2-[(E,3S)-3-oxidanyloct-1-enyl]cyclopentyl]hept-5-enoic acid | Formula: | C20 H34 O5 | SMILES: | CCCCC[CH](O)C=C[CH]1[CH](O)C[CH](O)[CH]1CC=CCCCC(O)=O | 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/h4,7,12-13,15-19,21-23H,2-3,5-6,8-11,14H2,1H3,(H,24,25)/b7-4-,13-12+/t15-,16+,17+,18-,19+/m0/s1 | Synonyms: | Dinoprost | Definition date: | 2023-05-30 | Last modified: | 2023-11-01 | Release date: | 2023-07-12 | Identifier: | (~{Z})-7-[(1~{R},2~{R},3~{R},5~{S})-3,5-bis(oxidanyl)-2-[(~{E},3~{S})-3-oxidanyloct-1-enyl]cyclopentyl]hept-5-enoic acid |
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![L1N L1N](https://data.pdbj.org/pdbjplus/data/cc/svg/L1N.svg) | L1N | Name: | 4-[(~{E})-(7-oxidanyl-6~{H}-pyrrolo[2,3-g][1,3]benzothiazol-8-yl)methylideneamino]-~{N}-pyridin-2-yl-benzenesulfonamide | Formula: | C21 H15 N5 O3 S2 | SMILES: | Oc1[nH]c2ccc3ncsc3c2c1C=Nc4ccc(cc4)[S](=O)(=O)Nc5ccccn5 | InChi: | InChI=1S/C21H15N5O3S2/c27-21-15(19-16(25-21)8-9-17-20(19)30-12-24-17)11-23-13-4-6-14(7-5-13)31(28,29)26-18-3-1-2-10-22-18/h1-12,25,27H,(H,22,26)/b23-11+ | Definition date: | 2022-11-06 | Last modified: | 2023-10-27 | Release date: | 2023-11-01 | Identifier: | 4-[(~{E})-(7-oxidanyl-6~{H}-pyrrolo[2,3-g][1,3]benzothiazol-8-yl)methylideneamino]-~{N}-pyridin-2-yl-benzenesulfonamide |
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![QDL QDL](https://data.pdbj.org/pdbjplus/data/cc/svg/QDL.svg) | QDL | Name: | Antheraxanthin | Formula: | C40 H56 O3 | SMILES: | CC1=C(C=CC(C)=CC=CC(C)=CC=CC=C(C)C=CC=C(C)C=C[C]23O[C]2(C)C[CH](O)CC3(C)C)C(C)(C)C[CH](O)C1 | InChi: | InChI=1S/C40H56O3/c1-29(17-13-19-31(3)21-22-36-33(5)25-34(41)26-37(36,6)7)15-11-12-16-30(2)18-14-20-32(4)23-24-40-38(8,9)27-35(42)28-39(40,10)43-40/h11-24,34-35,41-42H,25-28H2,1-10H3/b12-11+,17-13+,18-14+,22-21+,24-23+,29-15+,30-16+,31-19+,32-20+/t34-,35+,39-,40+/m1/s1 | Synonyms: | (1~{R},3~{S},6~{S})-1,5,5-trimethyl-6-[(1~{E},3~{E},5~{E},7~{E},9~{E},11~{E},13~{E},15~{E},17~{E})-3,7,12,16-tetramethyl-18-[(4~{R})-2,6,6-trimethyl-4-oxidanyl-cyclohexen-1-yl]octadeca-1,3,5,7,9,11,13,15,17-nonaenyl]-7-oxabicyclo[4.1.0]heptan-3-ol | Definition date: | 2022-10-25 | Last modified: | 2023-10-27 | Release date: | 2023-11-01 | Identifier: | (1~{R},3~{S},6~{S})-1,5,5-trimethyl-6-[(1~{E},3~{E},5~{E},7~{E},9~{E},11~{E},13~{E},15~{E},17~{E})-3,7,12,16-tetramethyl-18-[(4~{R})-2,6,6-trimethyl-4-oxidanyl-cyclohexen-1-yl]octadeca-1,3,5,7,9,11,13,15,17-nonaenyl]-7-oxabicyclo[4.1.0]heptan-3-ol |
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![MFF MFF](https://data.pdbj.org/pdbjplus/data/cc/svg/MFF.svg) | MFF | Name: | methyl (3~{S},5~{R},6~{E},8~{Z},10~{R},12~{E},14~{E},16~{S})-3,16-bis(azanyl)-8,10,12-trimethyl-16-[(2~{S},4~{R},5~{S},6~{S})-5-methyl-4-oxidanyl-6-[(~{E})-prop-1-enyl]oxan-2-yl]-5-oxidanyl-hexadeca-6,8,12,14-tetraenoate | Formula: | C29 H48 N2 O5 | SMILES: | COC(=O)C[CH](N)C[CH](O)C=CC(C)=C[CH](C)CC(C)=CC=C[CH](N)[CH]1C[CH](O)[CH](C)[CH](O1)C=CC | InChi: | InChI=1S/C29H48N2O5/c1-7-9-27-22(5)26(33)18-28(36-27)25(31)11-8-10-19(2)14-21(4)15-20(3)12-13-24(32)16-23(30)17-29(34)35-6/h7-13,15,21-28,32-33H,14,16-18,30-31H2,1-6H3/b9-7+,11-8+,13-12+,19-10+,20-15-/t21-,22+,23+,24+,25+,26-,27+,28+/m1/s1 | Definition date: | 2022-12-23 | Last modified: | 2023-10-20 | Release date: | 2023-10-25 | Identifier: | methyl (3~{S},5~{R},6~{E},8~{Z},10~{R},12~{E},14~{E},16~{S})-3,16-bis(azanyl)-8,10,12-trimethyl-16-[(2~{S},4~{R},5~{S},6~{S})-5-methyl-4-oxidanyl-6-[(~{E})-prop-1-enyl]oxan-2-yl]-5-oxidanyl-hexadeca-6,8,12,14-tetraenoate |
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![MI8 MI8](https://data.pdbj.org/pdbjplus/data/cc/svg/MI8.svg) | MI8 | Name: | methyl (3~{S},5~{R},6~{E},8~{Z},10~{R},12~{E},14~{E},16~{R})-3,16-bis(azanyl)-8,10,12-trimethyl-16-[(2~{S},4~{R},5~{S},6~{S})-5-methyl-4-oxidanyl-6-[(~{E})-prop-1-enyl]oxan-2-yl]-5-oxidanyl-hexadeca-6,8,12,14-tetraenoate | Formula: | C29 H48 N2 O5 | SMILES: | COC(=O)C[CH](N)C[CH](O)C=CC(C)=C[CH](C)CC(C)=CC=C[CH](N)[CH]1C[CH](O)[CH](C)[CH](O1)C=CC | InChi: | InChI=1S/C29H48N2O5/c1-7-9-27-22(5)26(33)18-28(36-27)25(31)11-8-10-19(2)14-21(4)15-20(3)12-13-24(32)16-23(30)17-29(34)35-6/h7-13,15,21-28,32-33H,14,16-18,30-31H2,1-6H3/b9-7+,11-8+,13-12+,19-10+,20-15-/t21-,22+,23+,24+,25-,26-,27+,28+/m1/s1 | Definition date: | 2022-12-23 | Last modified: | 2023-10-20 | Release date: | 2023-10-25 | Identifier: | methyl (3~{S},5~{R},6~{E},8~{Z},10~{R},12~{E},14~{E},16~{R})-3,16-bis(azanyl)-8,10,12-trimethyl-16-[(2~{S},4~{R},5~{S},6~{S})-5-methyl-4-oxidanyl-6-[(~{E})-prop-1-enyl]oxan-2-yl]-5-oxidanyl-hexadeca-6,8,12,14-tetraenoate |
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![ET4 ET4](https://data.pdbj.org/pdbjplus/data/cc/svg/ET4.svg) | ET4 | Name: | (1~{R})-3,5,5-trimethyl-4-[(1~{E},3~{E},5~{E},7~{E},9~{E},11~{E},13~{E},15~{E})-3,7,12,16-tetramethyl-18-[(4~{R})-2,6,6-trimethyl-4-oxidanyl-cyclohexen-1-yl]octadeca-1,3,5,7,9,11,13,15-octaen-17-ynyl]cyclohex-3-en-1-ol | Formula: | C40 H54 O2 | SMILES: | CC(=CC=CC=C(C)C=CC=C(C)C#CC1=C(C)C[CH](O)CC1(C)C)C=CC=C(C)C=CC2=C(C)C[CH](O)CC2(C)C | InChi: | InChI=1S/C40H54O2/c1-29(17-13-19-31(3)21-23-37-33(5)25-35(41)27-39(37,7)8)15-11-12-16-30(2)18-14-20-32(4)22-24-38-34(6)26-36(42)28-40(38,9)10/h11-21,23,35-36,41-42H,25-28H2,1-10H3/b12-11+,17-13+,18-14+,23-21+,29-15+,30-16+,31-19+,32-20+/t35-,36-/m1/s1 | Synonyms: | Diatoxanthin | Definition date: | 2023-06-15 | Last modified: | 2023-10-20 | Release date: | 2023-10-25 | Identifier: | (1~{R})-3,5,5-trimethyl-4-[(1~{E},3~{E},5~{E},7~{E},9~{E},11~{E},13~{E},15~{E})-3,7,12,16-tetramethyl-18-[(4~{R})-2,6,6-trimethyl-4-oxidanyl-cyclohexen-1-yl]octadeca-1,3,5,7,9,11,13,15-octaen-17-ynyl]cyclohex-3-en-1-ol |
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![XRB XRB](https://data.pdbj.org/pdbjplus/data/cc/svg/XRB.svg) | XRB | Name: | 5-[(4-{4-[(E)-2-cyanoethenyl]-2,6-dimethylphenoxy}pyrimidin-2-yl)amino]-2-[4-(methanesulfonyl)piperazin-1-yl]benzonitrile | Formula: | C27 H27 N7 O3 S | SMILES: | O=S(C)(=O)N1CCN(CC1)c1ccc(Nc2nc(Oc3c(C)cc(C=CC#N)cc3C)ccn2)cc1C#N | InChi: | InChI=1S/C27H27N7O3S/c1-19-15-21(5-4-9-28)16-20(2)26(19)37-25-8-10-30-27(32-25)31-23-6-7-24(22(17-23)18-29)33-11-13-34(14-12-33)38(3,35)36/h4-8,10,15-17H,11-14H2,1-3H3,(H,30,31,32)/b5-4+ | Definition date: | 2022-12-06 | Last modified: | 2023-10-13 | Release date: | 2023-10-18 | Identifier: | 5-[(4-{4-[(E)-2-cyanoethenyl]-2,6-dimethylphenoxy}pyrimidin-2-yl)amino]-2-[4-(methanesulfonyl)piperazin-1-yl]benzonitrile |
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![XDU XDU](https://data.pdbj.org/pdbjplus/data/cc/svg/XDU.svg) | XDU | Name: | 4-[(E)-2-(2,4-dichlorophenyl)ethenyl]-6-(trifluoromethyl)pyrimidin-2-ol | Formula: | C13 H7 Cl2 F3 N2 O | SMILES: | Oc1nc(/C=C/c2ccc(Cl)cc2Cl)cc(n1)C(F)(F)F | InChi: | InChI=1S/C13H7Cl2F3N2O/c14-8-3-1-7(10(15)5-8)2-4-9-6-11(13(16,17)18)20-12(21)19-9/h1-6H,(H,19,20,21)/b4-2+ | Definition date: | 2022-11-14 | Last modified: | 2023-10-13 | Release date: | 2023-10-18 | Identifier: | 4-[(E)-2-(2,4-dichlorophenyl)ethenyl]-6-(trifluoromethyl)pyrimidin-2-ol |
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![WS9 WS9](https://data.pdbj.org/pdbjplus/data/cc/svg/WS9.svg) | WS9 | Name: | N-[(1E,3R)-5-amino-1-(1,3-oxazol-2-yl)-5-oxopent-1-en-3-yl]-1-{1-[4-(trifluoromethoxy)phenyl]cyclopropane-1-carbonyl}-L-prolinamide | Formula: | C24 H25 F3 N4 O5 | SMILES: | FC(F)(F)Oc1ccc(cc1)C1(CC1)C(=O)N1CCCC1C(=O)NC(/C=C/c1ncco1)CC(N)=O | InChi: | InChI=1S/C24H25F3N4O5/c25-24(26,27)36-17-6-3-15(4-7-17)23(9-10-23)22(34)31-12-1-2-18(31)21(33)30-16(14-19(28)32)5-8-20-29-11-13-35-20/h3-8,11,13,16,18H,1-2,9-10,12,14H2,(H2,28,32)(H,30,33) | Definition date: | 2022-10-17 | Last modified: | 2023-10-06 | Release date: | 2023-10-11 | Identifier: | N-[(1E,3R)-5-amino-1-(1,3-oxazol-2-yl)-5-oxopent-1-en-3-yl]-1-{1-[4-(trifluoromethoxy)phenyl]cyclopropane-1-carbonyl}-L-prolinamide |
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![9TN 9TN](https://data.pdbj.org/pdbjplus/data/cc/svg/9TN.svg) | 9TN | Name: | DEBUTANOYL THAPSIGARGIN | Formula: | C30 H44 O11 | SMILES: | CCCCCCCC(=O)O[CH]1[CH](OC(=O)C(C)=CC)C(=C2[CH]3OC(=O)[C](C)(O)[C]3(O)[CH](O)C[C](C)(OC(C)=O)[CH]12)C | InChi: | InChI=1S/C30H44O11/c1-8-10-11-12-13-14-20(33)38-24-22-21(17(4)23(24)39-26(34)16(3)9-2)25-30(37,29(7,36)27(35)40-25)19(32)15-28(22,6)41-18(5)31/h9,19,22-25,32,36-37H,8,10-15H2,1-7H3/b16-9+/t19-,22+,23-,24-,25-,28-,29+,30+/m0/s1 | Definition date: | 2011-04-11 | Last modified: | 2023-09-23 | Identifier: | [(3~{S},3~{a}~{R},4~{S},6~{S},6~{a}~{R},7~{S},8~{S},9~{b}~{S})-6-acetyloxy-3,6,9-trimethyl-8-[(~{E})-2-methylbut-2-enoyl]oxy-3,3~{a},4-tris(oxidanyl)-2-oxidanylidene-4,5,6~{a},7,8,9~{b}-hexahydroazuleno[4,5-b]furan-7-yl] octanoate |
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![CN1 CN1](https://data.pdbj.org/pdbjplus/data/cc/svg/CN1.svg) | CN1 | Name: | OXO-IRON CLUSTER 2 | Formula: | Fe3 H9 O12 | SMILES: | O[Fe](O)O.O[Fe](O)(O)(O)O[Fe]1(O)(O)OO1 | InChi: | InChI=1S/3Fe.O2.9H2O.O/c | Definition date: | 2003-10-16 | Last modified: | 2023-09-23 | Identifier: | [(1~{R})-3,3-bis(oxidanyl)-1-[tris(oxidanyl)ferrio]-1$l^{3},2-dioxa-3$l^{5}-ferracycloprop-3-yl]oxy-tetrakis(oxidanyl)iron |
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![CNF CNF](https://data.pdbj.org/pdbjplus/data/cc/svg/CNF.svg) | CNF | Name: | OXO-IRON CLUSTER 3 | Formula: | Fe3 H9 O12 | SMILES: | O[Fe](O)(O)O[Fe]1(O)(O)O[Fe](O)(O)(O)(O)O1 | InChi: | InChI=1S/3Fe.9H2O.3O/h | Definition date: | 2003-10-16 | Last modified: | 2023-09-23 | Identifier: | (1~{R})-2,2,2,2,4,4,6,6,6-nonakis(oxidanyl)-1$l^{3},3,5-trioxa-2$l^{6},4$l^{5},6$l^{5}-triferrabicyclo[2.2.0]hexane |
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![14Y 14Y](https://data.pdbj.org/pdbjplus/data/cc/svg/14Y.svg) | 14Y | Name: | METHYL(E)-OCTADEC-9-ENOATE | Formula: | C19 H36 O2 | SMILES: | CCCCCCCCC=CCCCCCCCC(=O)OC | InChi: | InChI=1S/C19H36O2/c1-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19(20)21-2/h10-11H,3-9,12-18H2,1-2H3/b11-10+ | Definition date: | 2011-05-31 | Last modified: | 2023-09-23 | Identifier: | methyl (~{E})-octadec-9-enoate |
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