| UJO | Name: | ~{N}-[(~{Z},2~{S},3~{R})-1,3-bis(oxidanyl)heptadec-4-en-2-yl]dodecanamide | Formula: | C29 H57 N O3 | SMILES: | CCCCCCCCCCCCC=C[CH](O)[CH](CO)NC(=O)CCCCCCCCCCC | InChi: | InChI=1S/C29H57NO3/c1-3-5-7-9-11-13-14-15-17-18-20-22-24-28(32)27(26-31)30-29(33)25-23-21-19-16-12-10-8-6-4-2/h22,24,27-28,31-32H,3-21,23,25-26H2,1-2H3,(H,30,33)/b24-22-/t27-,28+/m0/s1 | Definition date: | 2023-09-08 | Last modified: | 2024-02-23 | Release date: | 2024-02-28 | Identifier: | ~{N}-[(~{Z},2~{S},3~{R})-1,3-bis(oxidanyl)heptadec-4-en-2-yl]dodecanamide |
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| UZ3 | Name: | 2-[[3,5-bis(chloranyl)phenyl]carbamoylamino]-4-methoxy-benzamide | Formula: | C15 H13 Cl2 N3 O3 | SMILES: | COc1ccc(C(N)=O)c(NC(=O)Nc2cc(Cl)cc(Cl)c2)c1 | InChi: | InChI=1S/C15H13Cl2N3O3/c1-23-11-2-3-12(14(18)21)13(7-11)20-15(22)19-10-5-8(16)4-9(17)6-10/h2-7H,1H3,(H2,18,21)(H2,19,20,22) | Definition date: | 2023-02-15 | Last modified: | 2024-02-23 | Release date: | 2024-02-28 | Identifier: | 2-[[3,5-bis(chloranyl)phenyl]carbamoylamino]-4-methoxy-benzamide |
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| Y4Y | Name: | 6-(aminomethyl)-7-nitro-1,4-dihydroquinoxaline-2,3-dione | Formula: | C9 H8 N4 O4 | SMILES: | O=N(=O)c1cc2NC(=O)C(=O)Nc2cc1CN | InChi: | InChI=1S/C9H8N4O4/c10-3-4-1-5-6(2-7(4)13(16)17)12-9(15)8(14)11-5/h1-2H,3,10H2,(H,11,14)(H,12,15) | Definition date: | 2023-01-05 | Last modified: | 2024-02-23 | Release date: | 2024-02-28 | Identifier: | 6-(aminomethyl)-7-nitro-1,4-dihydroquinoxaline-2,3-dione |
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| U7C | Name: | 5-(1~{H}-indol-3-yl)-1,2-oxazole-3-carboxylic acid | Formula: | C12 H8 N2 O3 | SMILES: | OC(=O)c1cc(on1)c2c[nH]c3ccccc23 | InChi: | InChI=1S/C12H8N2O3/c15-12(16)10-5-11(17-14-10)8-6-13-9-4-2-1-3-7(8)9/h1-6,13H,(H,15,16) | Definition date: | 2023-05-21 | Last modified: | 2024-02-23 | Release date: | 2024-02-28 | Identifier: | 5-(1~{H}-indol-3-yl)-1,2-oxazole-3-carboxylic acid |
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| U7L | Name: | 4-(hydroxymethyl)-5-(1-methylindol-3-yl)-1,2-oxazole-3-carboxylic acid | Formula: | C14 H12 N2 O4 | SMILES: | Cn1cc(c2onc(C(O)=O)c2CO)c3ccccc13 | InChi: | InChI=1S/C14H12N2O4/c1-16-6-9(8-4-2-3-5-11(8)16)13-10(7-17)12(14(18)19)15-20-13/h2-6,17H,7H2,1H3,(H,18,19) | Definition date: | 2023-05-21 | Last modified: | 2024-02-23 | Release date: | 2024-02-28 | Identifier: | 4-(hydroxymethyl)-5-(1-methylindol-3-yl)-1,2-oxazole-3-carboxylic acid |
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| V19 | Name: | 4-(4-bromophenyl)-2-[[(2~{R},3~{R},4~{R})-2-(hydroxymethyl)-3-oxidanyl-3,4-dihydro-2~{H}-pyran-4-yl]oxymethyl]phthalazin-1-one | Formula: | C21 H19 Br N2 O5 | SMILES: | OC[CH]1OC=C[CH](OCN2N=C(c3ccc(Br)cc3)c4ccccc4C2=O)[CH]1O | InChi: | InChI=1S/C21H19BrN2O5/c22-14-7-5-13(6-8-14)19-15-3-1-2-4-16(15)21(27)24(23-19)12-29-17-9-10-28-18(11-25)20(17)26/h1-10,17-18,20,25-26H,11-12H2/t17-,18-,20-/m1/s1 | Definition date: | 2023-02-20 | Last modified: | 2024-02-23 | Release date: | 2024-02-28 | Identifier: | 4-(4-bromophenyl)-2-[[(2~{R},3~{R},4~{R})-2-(hydroxymethyl)-3-oxidanyl-3,4-dihydro-2~{H}-pyran-4-yl]oxymethyl]phthalazin-1-one |
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| XRH | Name: | 2-[3-[7-chloranyl-4-(dimethylamino)-2-oxidanylidene-quinazolin-1-yl]phenoxy]-~{N}-[3-[7-chloranyl-4-(dimethylamino)-2-oxidanylidene-quinazolin-1-yl]phenyl]ethanamide | Formula: | C34 H29 Cl2 N7 O4 | SMILES: | CN(C)C1=NC(=O)N(c2cccc(NC(=O)COc3cccc(c3)N4C(=O)N=C(N(C)C)c5ccc(Cl)cc45)c2)c6cc(Cl)ccc16 | InChi: | InChI=1S/C34H29Cl2N7O4/c1-40(2)31-26-13-11-20(35)15-28(26)42(33(45)38-31)23-8-5-7-22(17-23)37-30(44)19-47-25-10-6-9-24(18-25)43-29-16-21(36)12-14-27(29)32(41(3)4)39-34(43)46/h5-18H,19H2,1-4H3,(H,37,44) | Synonyms: | 3-CARBAMIMIDOYL-1-(PYRIDIN-3-YLCARBAMOYLMETHYL)-1H-INDOLE-7-CARBOXYLIC ACID PYRIDIN-3-YLAMIDE | Definition date: | 2023-12-08 | Last modified: | 2024-02-23 | Release date: | 2024-02-28 | Identifier: | 2-[3-[7-chloranyl-4-(dimethylamino)-2-oxidanylidene-quinazolin-1-yl]phenoxy]-~{N}-[3-[7-chloranyl-4-(dimethylamino)-2-oxidanylidene-quinazolin-1-yl]phenyl]ethanamide |
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| V1X | Name: | 2-[[3,5-bis(chloranyl)-2-(2-hydroxyethyl)phenyl]carbamoylamino]-4-(trifluoromethyloxy)benzamide | Formula: | C17 H14 Cl2 F3 N3 O4 | SMILES: | NC(=O)c1ccc(OC(F)(F)F)cc1NC(=O)Nc2cc(Cl)cc(Cl)c2CCO | InChi: | InChI=1S/C17H14Cl2F3N3O4/c18-8-5-12(19)10(3-4-26)13(6-8)24-16(28)25-14-7-9(29-17(20,21)22)1-2-11(14)15(23)27/h1-2,5-7,26H,3-4H2,(H2,23,27)(H2,24,25,28) | Synonyms: | 2-[[3,5-dichloro-2-(2-hydroxyethyl)phenyl]carbamoylamino]-4-(trifluoromethoxy)benzamide | Definition date: | 2023-02-20 | Last modified: | 2024-02-23 | Release date: | 2024-02-28 | Identifier: | 2-[[3,5-bis(chloranyl)-2-(2-hydroxyethyl)phenyl]carbamoylamino]-4-(trifluoromethyloxy)benzamide |
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| V23 | Name: | 7-methyl-2-(trifluoromethyl)-3~{H}-[1,2,4]triazolo[1,5-a]pyridin-5-one | Formula: | C8 H6 F3 N3 O | SMILES: | CC1=CC(=O)N2NC(=NC2=C1)C(F)(F)F | InChi: | InChI=1S/C8H6F3N3O/c1-4-2-5-12-7(8(9,10)11)13-14(5)6(15)3-4/h2-3H,1H3,(H,12,13) | Definition date: | 2023-07-03 | Last modified: | 2024-02-23 | Release date: | 2024-02-28 | Identifier: | 7-methyl-2-(trifluoromethyl)-3~{H}-[1,2,4]triazolo[1,5-a]pyridin-5-one |
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| V2F | Name: | 2-[[3,5-bis(chloranyl)phenyl]carbamoylamino]-4-(trifluoromethyloxy)benzamide | Formula: | C15 H10 Cl2 F3 N3 O3 | SMILES: | NC(=O)c1ccc(OC(F)(F)F)cc1NC(=O)Nc2cc(Cl)cc(Cl)c2 | InChi: | InChI=1S/C15H10Cl2F3N3O3/c16-7-3-8(17)5-9(4-7)22-14(25)23-12-6-10(26-15(18,19)20)1-2-11(12)13(21)24/h1-6H,(H2,21,24)(H2,22,23,25) | Synonyms: | 2-[(3,5-dichlorophenyl)carbamoylamino]-4-(trifluoromethoxy)benzamide | Definition date: | 2023-02-20 | Last modified: | 2024-02-23 | Release date: | 2024-02-28 | Identifier: | 2-[[3,5-bis(chloranyl)phenyl]carbamoylamino]-4-(trifluoromethyloxy)benzamide |
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| XDZ | Name: | 2-[5-bromanyl-3-[2,2,2-tris(fluoranyl)ethanoyl]indol-1-yl]-N-cycloheptyl-ethanamide | Formula: | C19 H20 Br F3 N2 O2 | SMILES: | FC(F)(F)C(=O)c1cn(CC(=O)NC2CCCCCC2)c3ccc(Br)cc13 | InChi: | InChI=1S/C19H20BrF3N2O2/c20-12-7-8-16-14(9-12)15(18(27)19(21,22)23)10-25(16)11-17(26)24-13-5-3-1-2-4-6-13/h7-10,13H,1-6,11H2,(H,24,26) | Synonyms: | Epoxykinin | Definition date: | 2023-10-30 | Last modified: | 2024-02-23 | Release date: | 2024-02-28 | Identifier: | 2-[5-bromanyl-3-[2,2,2-tris(fluoranyl)ethanoyl]indol-1-yl]-~{N}-cycloheptyl-ethanamide |
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| UQ3 | Name: | S-{(3S,5R,9R)-1-[(2R,3S,4R,5R)-5-(6-amino-9H-purin-9-yl)-4-hydroxy-3-(phosphonooxy)oxolan-2-yl]-3,5,9-trihydroxy-8,8-dimethyl-3,5,10,14-tetraoxo-2,4,6-trioxa-11,15-diaza-3lambda~5~,5lambda~5~-diphosphaheptadecan-17-yl} (2R)-2-hydroxypropanethioate | Formula: | C24 H40 N7 O18 P3 S | SMILES: | CC(O)C(=O)SCCNC(=O)CCNC(=O)C(O)C(C)(C)COP(=O)(O)OP(=O)(O)OCC1OC(n2cnc3c(N)ncnc32)C(O)C1OP(=O)(O)O | InChi: | InChI=1S/C24H40N7O18P3S/c1-12(32)23(37)53-7-6-26-14(33)4-5-27-21(36)18(35)24(2,3)9-46-52(43,44)49-51(41,42)45-8-13-17(48-50(38,39)40)16(34)22(47-13)31-11-30-15-19(25)28-10-29-20(15)31/h10-13,16-18,22,32,34-35H,4-9H2,1-3H3,(H,26,33)(H,27,36)(H,41,42)(H,43,44)(H2,25,28,29)(H2,38,39,40)/t12-,13-,16-,17-,18+,22-/m1/s1 | Synonyms: | Lactyl-CoA | Definition date: | 2022-08-23 | Last modified: | 2024-02-23 | Release date: | 2024-02-28 | Identifier: | S-{(3S,5R,9R)-1-[(2R,3S,4R,5R)-5-(6-amino-9H-purin-9-yl)-4-hydroxy-3-(phosphonooxy)oxolan-2-yl]-3,5,9-trihydroxy-8,8-dimethyl-3,5,10,14-tetraoxo-2,4,6-trioxa-11,15-diaza-3lambda~5~,5lambda~5~-diphosphaheptadecan-17-yl} (2R)-2-hydroxypropanethioate (non-preferred name) |
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| YVF | Name: | methyl (2R)-2-({(1M)-5-methyl-1-[3-(trifluoromethyl)phenyl]-1H-pyrazole-3-carbonyl}amino)-2-(thiophen-2-yl)propanoate | Formula: | C20 H18 F3 N3 O3 S | SMILES: | O=C(NC(C)(c1cccs1)C(=O)OC)c1cc(C)n(n1)c1cc(ccc1)C(F)(F)F | InChi: | InChI=1S/C20H18F3N3O3S/c1-12-10-15(25-26(12)14-7-4-6-13(11-14)20(21,22)23)17(27)24-19(2,18(28)29-3)16-8-5-9-30-16/h4-11H,1-3H3,(H,24,27)/t19-/m0/s1 | Definition date: | 2023-02-23 | Last modified: | 2024-02-23 | Release date: | 2024-02-28 | Identifier: | methyl (2R)-2-({(1M)-5-methyl-1-[3-(trifluoromethyl)phenyl]-1H-pyrazole-3-carbonyl}amino)-2-(thiophen-2-yl)propanoate |
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| YVK | Name: | (6S)-6-{(5M)-5-(3,5-dimethyl-1,2-oxazol-4-yl)-1-[(1s,4R)-4-methoxycyclohexyl]-1H-benzimidazol-2-yl}-1-phenylpiperidin-2-one | Formula: | C30 H34 N4 O3 | SMILES: | Cc1noc(C)c1c1cc2nc(C3CCCC(=O)N3c3ccccc3)n(C3CCC(OC)CC3)c2cc1 | InChi: | InChI=1S/C30H34N4O3/c1-19-29(20(2)37-32-19)21-12-17-26-25(18-21)31-30(34(26)23-13-15-24(36-3)16-14-23)27-10-7-11-28(35)33(27)22-8-5-4-6-9-22/h4-6,8-9,12,17-18,23-24,27H,7,10-11,13-16H2,1-3H3/t23-,24+,27-/m0/s1 | Definition date: | 2023-02-23 | Last modified: | 2024-02-23 | Release date: | 2024-02-28 | Identifier: | (6S)-6-{(5M)-5-(3,5-dimethyl-1,2-oxazol-4-yl)-1-[(1s,4R)-4-methoxycyclohexyl]-1H-benzimidazol-2-yl}-1-phenylpiperidin-2-one |
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| V8U | Name: | 3-[5-[(4-ethenyl-3-methyl-5-oxidanylidene-pyrrol-2-yl)methyl]-2-[[5-[(3-ethyl-4-methyl-5-oxidanylidene-pyrrol-2-yl)methyl]-3-(3-hydroxy-3-oxopropyl)-4-methyl-1~{H}-pyrrol-2-yl]methyl]-4-methyl-1~{H}-pyrrol-3-yl]propanoic acid | Formula: | C33 H38 N4 O6 | SMILES: | CCC1=C(C)C(=O)N=C1Cc2[nH]c(Cc3[nH]c(CC4=NC(=O)C(=C4C)C=C)c(C)c3CCC(O)=O)c(CCC(O)=O)c2C | InChi: | InChI=1S/C33H38N4O6/c1-7-20-19(6)32(42)37-27(20)14-25-18(5)23(10-12-31(40)41)29(35-25)15-28-22(9-11-30(38)39)17(4)24(34-28)13-26-16(3)21(8-2)33(43)36-26/h8,34-35H,2,7,9-15H2,1,3-6H3,(H,38,39)(H,40,41) | Definition date: | 2023-02-27 | Last modified: | 2024-02-23 | Release date: | 2024-02-28 | Identifier: | 3-[5-[(4-ethenyl-3-methyl-5-oxidanylidene-pyrrol-2-yl)methyl]-2-[[5-[(3-ethyl-4-methyl-5-oxidanylidene-pyrrol-2-yl)methyl]-3-(3-hydroxy-3-oxopropyl)-4-methyl-1~{H}-pyrrol-2-yl]methyl]-4-methyl-1~{H}-pyrrol-3-yl]propanoic acid |
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| 75I | Name: | DL-6-deoxy-6-hydroxy-methyl-scyllo-inositol 1,2,4-trisphosphate | Formula: | C7 H17 O15 P3 | SMILES: | OC[CH]1[CH](O)[CH](O[P](O)(O)=O)[CH](O)[CH](O[P](O)(O)=O)[CH]1O[P](O)(O)=O | InChi: | InChI=1S/C7H17O15P3/c8-1-2-3(9)6(21-24(14,15)16)4(10)7(22-25(17,18)19)5(2)20-23(11,12)13/h2-10H,1H2,(H2,11,12,13)(H2,14,15,16)(H2,17,18,19)/t2-,3-,4-,5+,6+,7+/m0/s1 | Synonyms: | [(1R,2S,3S,4R,5S,6R)-2-(hydroxymethyl)-3,5-bis(oxidanyl)-4,6-diphosphonooxy-cyclohexyl] dihydrogen phosphate | Definition date: | 2023-07-12 | Last modified: | 2024-02-23 | Release date: | 2024-02-28 | Identifier: | [(1~{R},2~{S},3~{S},4~{R},5~{S},6~{R})-2-(hydroxymethyl)-3,5-bis(oxidanyl)-4,6-diphosphonooxy-cyclohexyl] dihydrogen phosphate |
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| JSU | Name: | trichloro((3~{a}~{S},4~{S},6~{a}~{R})-4-[(5~{R})-5-oxidanyl-5-[2-(2,3,4,5-tetramethylcyclopenta-2,4-dien-1-ylidene)ethylamino]pentyl]-1,3,3~{a},4,6,6~{a}-hexahydrothieno[3,4-d]imidazol-2-one)rhodium(3+) | Formula: | C21 H32 Cl3 N3 O2 Rh S | SMILES: | [Cl-].[Cl-].[Cl-].[Rh+3].CC1=C(C)C(=C(C)[C-]1CCNC(=O)CCCC[CH]2SC[CH]3NC(=O)N[CH]23)C | InChi: | InChI=1S/C21H32N3O2S.3ClH.Rh/c1-12-13(2)15(4)16(14(12)3)9-10-22-19(25)8-6-5-7-18-20-17(11-27-18)23-21(26)24-20 | Definition date: | 2022-08-26 | Last modified: | 2024-02-23 | Release date: | 2024-02-28 |
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| 7I8 | Name: | DL-6-deoxy-6-phosphoryloxymethyl-scyllo-inositol 1,2,4-trisphosphate | Formula: | C7 H18 O18 P4 | SMILES: | O[CH]1[CH](CO[P](O)(O)=O)[CH](O[P](O)(O)=O)[CH](O[P](O)(O)=O)[CH](O)[CH]1O[P](O)(O)=O | InChi: | InChI=1S/C7H18O18P4/c8-3-2(1-22-26(10,11)12)5(23-27(13,14)15)7(25-29(19,20)21)4(9)6(3)24-28(16,17)18/h2-9H,1H2,(H2,10,11,12)(H2,13,14,15)(H2,16,17,18)(H2,19,20,21)/t2-,3-,4-,5+,6+,7+/m0/s1 | Synonyms: | [(1R,2S,3R,4S,5S,6R)-2,4-bis(oxidanyl)-3,6-diphosphonooxy-5-(phosphonooxymethyl)cyclohexyl] dihydrogen phosphate | Definition date: | 2023-07-12 | Last modified: | 2024-02-23 | Release date: | 2024-02-28 | Identifier: | [(1~{R},2~{S},3~{R},4~{S},5~{S},6~{R})-2,4-bis(oxidanyl)-3,6-diphosphonooxy-5-(phosphonooxymethyl)cyclohexyl] dihydrogen phosphate |
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| 46I | Name: | beta-D-glucopyranosyl 1,3,4,6-tetrakisphosphate | Formula: | C6 H16 O18 P4 | SMILES: | O[CH]1[CH](O[CH](CO[P](O)(O)=O)[CH](O[P](O)(O)=O)[CH]1O[P](O)(O)=O)O[P](O)(O)=O | InChi: | InChI=1S/C6H16O18P4/c7-3-5(23-27(14,15)16)4(22-26(11,12)13)2(1-20-25(8,9)10)21-6(3)24-28(17,18)19/h2-7H,1H2,(H2,8,9,10)(H2,11,12,13)(H2,14,15,16)(H2,17,18,19)/t2-,3-,4-,5-,6+/m1/s1 | Synonyms: | [(2S,3R,4R,5R,6R)-3-oxidanyl-2,5-diphosphonooxy-6-(phosphonooxymethyl)oxan-4-yl] dihydrogen phosphate | Definition date: | 2023-07-12 | Last modified: | 2024-02-23 | Release date: | 2024-02-28 | Identifier: | [(2~{S},3~{R},4~{R},5~{R},6~{R})-3-oxidanyl-2,5-diphosphonooxy-6-(phosphonooxymethyl)oxan-4-yl] dihydrogen phosphate |
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| 5AI | Name: | alpha-D-glucopyranosyl 1,3,4-trisphosphate | Formula: | C6 H15 O15 P3 | SMILES: | OC[CH]1O[CH](O[P](O)(O)=O)[CH](O)[CH](O[P](O)(O)=O)[CH]1O[P](O)(O)=O | InChi: | InChI=1S/C6H15O15P3/c7-1-2-4(19-22(9,10)11)5(20-23(12,13)14)3(8)6(18-2)21-24(15,16)17/h2-8H,1H2,(H2,9,10,11)(H2,12,13,14)(H2,15,16,17)/t2-,3-,4-,5-,6-/m1/s1 | Synonyms: | [(2R,3R,4R,5R,6R)-2-(hydroxymethyl)-5-oxidanyl-3,6-diphosphonooxy-oxan-4-yl] dihydrogen phosphate | Definition date: | 2023-07-12 | Last modified: | 2024-02-23 | Release date: | 2024-02-28 | Identifier: | [(2~{R},3~{R},4~{R},5~{R},6~{R})-2-(hydroxymethyl)-5-oxidanyl-3,6-diphosphonooxy-oxan-4-yl] dihydrogen phosphate |
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| OY7 | Name: | (4-ethanoylphenyl)boronic acid | Formula: | C8 H9 B O3 | SMILES: | CC(=O)c1ccc(cc1)B(O)O | InChi: | InChI=1S/C8H9BO3/c1-6(10)7-2-4-8(5-3-7)9(11)12/h2-5,11-12H,1H3 | Synonyms: | 4-Acetylphenylboronic acid | Definition date: | 2023-02-24 | Last modified: | 2024-02-23 | Release date: | 2024-02-28 | Identifier: | (4-ethanoylphenyl)boronic acid |
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| P1X | Name: | 2-[[5-[1-[3-(4-chlorophenyl)propyl]-1,2,3-triazol-4-yl]-3-oxidanyl-pyridin-2-yl]carbonylamino]ethanoic acid | Formula: | C19 H18 Cl N5 O4 | SMILES: | OC(=O)CNC(=O)c1ncc(cc1O)c2cn(CCCc3ccc(Cl)cc3)nn2 | InChi: | InChI=1S/C19H18ClN5O4/c20-14-5-3-12(4-6-14)2-1-7-25-11-15(23-24-25)13-8-16(26)18(21-9-13)19(29)22-10-17(27)28/h3-6,8-9,11,26H,1-2,7,10H2,(H,22,29)(H,27,28) | Synonyms: | (5-(1-(3-(4-chlorophenyl)propyl)-1H-1,2,3-triazol-4-yl)-3-hydroxypicolinoyl)glycine | Definition date: | 2023-02-28 | Last modified: | 2024-02-23 | Release date: | 2024-02-28 | Identifier: | 2-[[5-[1-[3-(4-chlorophenyl)propyl]-1,2,3-triazol-4-yl]-3-oxidanyl-pyridin-2-yl]carbonylamino]ethanoic acid |
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| P5I | Name: | 2-[[5-[3-(3-chlorophenyl)-1,2-oxazol-5-yl]-3-oxidanyl-pyridin-2-yl]carbonylamino]ethanoic acid | Formula: | C17 H12 Cl N3 O5 | SMILES: | OC(=O)CNC(=O)c1ncc(cc1O)c2onc(c2)c3cccc(Cl)c3 | InChi: | InChI=1S/C17H12ClN3O5/c18-11-3-1-2-9(4-11)12-6-14(26-21-12)10-5-13(22)16(19-7-10)17(25)20-8-15(23)24/h1-7,22H,8H2,(H,20,25)(H,23,24) | Synonyms: | (5-(3-(3-chlorophenyl)isoxazol-5-yl)-3-hydroxypicolinoyl)glycine | Definition date: | 2023-02-28 | Last modified: | 2024-02-23 | Release date: | 2024-02-28 | Identifier: | 2-[[5-[3-(3-chlorophenyl)-1,2-oxazol-5-yl]-3-oxidanyl-pyridin-2-yl]carbonylamino]ethanoic acid |
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| 661 | Name: | beta-D-glucopyranosylmethanol 3,4,6,1'-tetrakisphosphate | Formula: | C7 H18 O18 P4 | SMILES: | O[CH]1[CH](CO[P](O)(O)=O)O[CH](CO[P](O)(O)=O)[CH](O[P](O)(O)=O)[CH]1O[P](O)(O)=O | InChi: | InChI=1S/C7H18O18P4/c8-5-3(1-21-26(9,10)11)23-4(2-22-27(12,13)14)6(24-28(15,16)17)7(5)25-29(18,19)20/h3-8H,1-2H2,(H2,9,10,11)(H2,12,13,14)(H2,15,16,17)(H2,18,19,20)/t3-,4+,5-,6+,7+/m0/s1 | Synonyms: | [(2S,3S,4R,5R,6R)-3-oxidanyl-4,5-diphosphonooxy-6-(phosphonooxymethyl)oxan-2-yl]methyl dihydrogen phosphate | Definition date: | 2023-07-12 | Last modified: | 2024-02-23 | Release date: | 2024-02-28 | Identifier: | [(2~{S},3~{S},4~{R},5~{R},6~{R})-3-oxidanyl-4,5-diphosphonooxy-6-(phosphonooxymethyl)oxan-2-yl]methyl dihydrogen phosphate |
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| 69I | Name: | beta-D-glucopyranosylmethanol 3,4,1'-trisphosphate | Formula: | C7 H17 O15 P3 | SMILES: | OC[CH]1O[CH](CO[P](O)(O)=O)[CH](O)[CH](O[P](O)(O)=O)[CH]1O[P](O)(O)=O | InChi: | InChI=1S/C7H17O15P3/c8-1-3-6(21-24(13,14)15)7(22-25(16,17)18)5(9)4(20-3)2-19-23(10,11)12/h3-9H,1-2H2,(H2,10,11,12)(H2,13,14,15)(H2,16,17,18)/t3-,4+,5+,6-,7-/m1/s1 | Synonyms: | [(2S,3S,4R,5R,6R)-6-(hydroxymethyl)-3-oxidanyl-4,5-diphosphonooxy-oxan-2-yl]methyl dihydrogen phosphate | Definition date: | 2023-07-12 | Last modified: | 2024-02-23 | Release date: | 2024-02-28 | Identifier: | [(2~{S},3~{S},4~{R},5~{R},6~{R})-6-(hydroxymethyl)-3-oxidanyl-4,5-diphosphonooxy-oxan-2-yl]methyl dihydrogen phosphate |
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