 | | WE4 | | Name: | 2,3,5,6-tetrabromobenzene-1,4-dicarboxylic acid | | Formula: | C8 H2 Br4 O4 | | SMILES: | C(O)(c1c(c(c(C(O)=O)c(Br)c1Br)Br)Br)=O | | InChi: | InChI=1S/C8H2Br4O4/c9-3-1(7(13)14)4(10)6(12)2(5(3)11)8(15)16/h(H,13,14)(H,15,16) | | Definition date: | 2020-10-20 | | Last modified: | 2021-04-23 | | Release date: | 2021-04-28 | | Identifier: | 2,3,5,6-tetrabromobenzene-1,4-dicarboxylic acid |
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 | | P4W | | Name: | ~{N},~{N}-dimethylisoquinoline-5-sulfonamide | | Formula: | C11 H12 N2 O2 S | | SMILES: | CN(C)[S](=O)(=O)c1cccc2cnccc12 | | InChi: | InChI=1S/C11H12N2O2S/c1-13(2)16(14,15)11-5-3-4-9-8-12-7-6-10(9)11/h3-8H,1-2H3 | | Definition date: | 2020-04-15 | | Last modified: | 2021-04-23 | | Release date: | 2021-04-28 | | Identifier: | ~{N},~{N}-dimethylisoquinoline-5-sulfonamide |
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 | | P75 | | Name: | 4-[[1-[(2~{S},3~{S},5~{R})-2-(hydroxymethyl)-5-[5-methyl-2,4-bis(oxidanylidene)pyrimidin-1-yl]oxolan-3-yl]-1,2,3-triazol-4-yl]methoxy]benzenesulfonamide | | Formula: | C19 H22 N6 O7 S | | SMILES: | CC1=CN([CH]2C[CH]([CH](CO)O2)n3cc(COc4ccc(cc4)[S](N)(=O)=O)nn3)C(=O)NC1=O | | InChi: | InChI=1S/C19H22N6O7S/c1-11-7-24(19(28)21-18(11)27)17-6-15(16(9-26)32-17)25-8-12(22-23-25)10-31-13-2-4-14(5-3-13)33(20,29)30/h2-5,7-8,15-17,26H,6,9-10H2,1H3,(H2,20,29,30)(H,21,27,28)/t15-,16+,17+/m0/s1 | | Definition date: | 2020-04-16 | | Last modified: | 2021-04-23 | | Release date: | 2021-04-28 | | Identifier: | 4-[[1-[(2~{S},3~{S},5~{R})-2-(hydroxymethyl)-5-[5-methyl-2,4-bis(oxidanylidene)pyrimidin-1-yl]oxolan-3-yl]-1,2,3-triazol-4-yl]methoxy]benzenesulfonamide |
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 | | QE8 | | Name: | (1~{R},2~{R},3~{R},4~{S},5~{R})-4-[[(1~{S},2~{S},3~{S},4~{R},5~{R})-5-(hydroxymethyl)-2,3,4-tris(oxidanyl)cyclohexyl]oxymethyl]cyclohexane-1,2,3,5-tetrol | | Formula: | C14 H26 O9 | | SMILES: | OC[CH]1C[CH](OC[CH]2[CH](O)C[CH](O)[CH](O)[CH]2O)[CH](O)[CH](O)[CH]1O | | InChi: | InChI=1S/C14H26O9/c15-3-5-1-9(13(21)14(22)10(5)18)23-4-6-7(16)2-8(17)12(20)11(6)19/h5-22H,1-4H2/t5-,6+,7-,8-,9+,10-,11-,12-,13-,14+/m1/s1 | | Definition date: | 2020-06-10 | | Last modified: | 2021-04-23 | | Release date: | 2021-04-28 | | Identifier: | (1~{R},2~{R},3~{R},4~{S},5~{R})-4-[[(1~{S},2~{S},3~{S},4~{R},5~{R})-5-(hydroxymethyl)-2,3,4-tris(oxidanyl)cyclohexyl]oxymethyl]cyclohexane-1,2,3,5-tetrol |
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 | | G9C | | Name: | N-[(1S)-1-pyridin-2-ylethyl]-8-[4-(trifluoromethyl)phenyl]quinoline-3-carboxamide | | Formula: | C24 H18 F3 N3 O | | SMILES: | C[CH](NC(=O)c1cnc2c(cccc2c3ccc(cc3)C(F)(F)F)c1)c4ccccn4 | | InChi: | InChI=1S/C24H18F3N3O/c1-15(21-7-2-3-12-28-21)30-23(31)18-13-17-5-4-6-20(22(17)29-14-18)16-8-10-19(11-9-16)24(25,26)27/h2-15H,1H3,(H,30,31)/t15-/m0/s1 | | Definition date: | 2020-08-06 | | Last modified: | 2021-04-23 | | Release date: | 2021-04-28 | | Identifier: | ~{N}-[(1~{S})-1-pyridin-2-ylethyl]-8-[4-(trifluoromethyl)phenyl]quinoline-3-carboxamide |
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 | | G9O | | Name: | N-oxidanyltetradecanamide | | Formula: | C14 H29 N O2 | | SMILES: | CCCCCCCCCCCCCC(=O)NO | | InChi: | InChI=1S/C14H29NO2/c1-2-3-4-5-6-7-8-9-10-11-12-13-14(16)15-17/h17H,2-13H2,1H3,(H,15,16) | | Definition date: | 2020-08-06 | | Last modified: | 2021-04-23 | | Release date: | 2021-04-28 | | Identifier: | ~{N}-oxidanyltetradecanamide |
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 | | GEX | | Name: | 1-(2-methylsulfanylphenyl)piperazine | | Formula: | C11 H16 N2 S | | SMILES: | CSc1ccccc1N2CCNCC2 | | InChi: | InChI=1S/C11H16N2S/c1-14-11-5-3-2-4-10(11)13-8-6-12-7-9-13/h2-5,12H,6-9H2,1H3 | | Definition date: | 2020-08-26 | | Last modified: | 2021-04-23 | | Release date: | 2021-04-28 | | Identifier: | 1-(2-methylsulfanylphenyl)piperazine |
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 | | KTE | | Name: | (2~{S},3~{R})-4-[(2~{R},3~{S},4~{S},5~{R})-2,5-bis(hydroxymethyl)-3,4-bis(oxidanyl)oxolan-2-yl]oxybutane-1,2,3-triol | | Formula: | C10 H20 O9 | | SMILES: | OC[CH](O)[CH](O)CO[C]1(CO)O[CH](CO)[CH](O)[CH]1O | | InChi: | InChI=1S/C10H20O9/c11-1-5(14)6(15)3-18-10(4-13)9(17)8(16)7(2-12)19-10/h5-9,11-17H,1-4H2/t5-,6+,7+,8+,9-,10+/m0/s1 | | Definition date: | 2019-06-20 | | Last modified: | 2021-04-23 | | Release date: | 2021-04-28 | | Identifier: | (2~{S},3~{R})-4-[(2~{R},3~{S},4~{S},5~{R})-2,5-bis(hydroxymethyl)-3,4-bis(oxidanyl)oxolan-2-yl]oxybutane-1,2,3-triol |
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 | | FN6 | | Name: | (2S)-2-azanyl-4-[[(2R)-3-(1H-imidazol-4-yl)-1-oxidanyl-1-oxidanylidene-propan-2-yl]amino]butanoic acid | | Formula: | C10 H16 N4 O4 | | SMILES: | N[CH](CCN[CH](Cc1c[nH]cn1)C(O)=O)C(O)=O | | InChi: | InChI=1S/C10H16N4O4/c11-7(9(15)16)1-2-13-8(10(17)18)3-6-4-12-5-14-6/h4-5,7-8,13H,1-3,11H2,(H,12,14)(H,15,16)(H,17,18)/t7-,8+/m0/s1 | | Definition date: | 2020-06-08 | | Last modified: | 2021-04-23 | | Release date: | 2021-04-28 | | Identifier: | (2~{S})-2-azanyl-4-[[(2~{R})-3-(1~{H}-imidazol-4-yl)-1-oxidanyl-1-oxidanylidene-propan-2-yl]amino]butanoic acid |
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 | | FQ0 | | Name: | 2-[(2E,6E)-3,7,11-trimethyldodeca-2,6,10-trienoxy]propane-1,3-diol | | Formula: | C18 H32 O3 | | SMILES: | CC(C)=CCCC(C)=CCCC(C)=CCOC(CO)CO | | InChi: | InChI=1S/C18H32O3/c1-15(2)7-5-8-16(3)9-6-10-17(4)11-12-21-18(13-19)14-20/h7,9,11,18-20H,5-6,8,10,12-14H2,1-4H3/b16-9+,17-11+ | | Definition date: | 2020-06-12 | | Last modified: | 2021-04-23 | | Release date: | 2021-04-28 | | Identifier: | 2-[(2~{E},6~{E})-3,7,11-trimethyldodeca-2,6,10-trienoxy]propane-1,3-diol |
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 | | FQF | | Name: | (2R)-3-[(2E,6E)-3,7,11-trimethyldodeca-2,6,10-trienoxy]propane-1,2-diol | | Formula: | C18 H32 O3 | | SMILES: | CC(C)=CCCC(C)=CCCC(C)=CCOC[CH](O)CO | | InChi: | InChI=1S/C18H32O3/c1-15(2)7-5-8-16(3)9-6-10-17(4)11-12-21-14-18(20)13-19/h7,9,11,18-20H,5-6,8,10,12-14H2,1-4H3/b16-9+,17-11+/t18-/m1/s1 | | Definition date: | 2020-06-15 | | Last modified: | 2021-04-23 | | Release date: | 2021-04-28 | | Identifier: | (2~{R})-3-[(2~{E},6~{E})-3,7,11-trimethyldodeca-2,6,10-trienoxy]propane-1,2-diol |
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 | | FV3 | | Name: | (2S)-3-[(2E,6E)-3,7,11-trimethyldodeca-2,6,10-trienoxy]propane-1,2-diol | | Formula: | C18 H32 O3 | | SMILES: | CC(C)=CCCC(C)=CCCC(C)=CCOC[CH](O)CO | | InChi: | InChI=1S/C18H32O3/c1-15(2)7-5-8-16(3)9-6-10-17(4)11-12-21-14-18(20)13-19/h7,9,11,18-20H,5-6,8,10,12-14H2,1-4H3/b16-9+,17-11+/t18-/m0/s1 | | Definition date: | 2020-06-17 | | Last modified: | 2021-04-23 | | Release date: | 2021-04-28 | | Identifier: | (2~{S})-3-[(2~{E},6~{E})-3,7,11-trimethyldodeca-2,6,10-trienoxy]propane-1,2-diol |
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 | | EUO | | Name: | 6-(1H-indol-5-yl)-N-methyl-2-methylsulfonyl-pyrimidin-4-amine | | Formula: | C14 H14 N4 O2 S | | SMILES: | CNc1cc(nc(n1)[S](C)(=O)=O)c2ccc3[nH]ccc3c2 | | InChi: | InChI=1S/C14H14N4O2S/c1-15-13-8-12(17-14(18-13)21(2,19)20)9-3-4-11-10(7-9)5-6-16-11/h3-8,16H,1-2H3,(H,15,17,18) | | Definition date: | 2020-01-28 | | Last modified: | 2021-04-23 | | Release date: | 2021-04-28 | | Identifier: | 6-(1~{H}-indol-5-yl)-~{N}-methyl-2-methylsulfonyl-pyrimidin-4-amine |
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 | | EUU | | Name: | 6-[1-[3-(dimethylamino)propyl]indol-5-yl]-2-methylsulfonyl-N-propyl-pyrimidin-4-amine | | Formula: | C21 H29 N5 O2 S | | SMILES: | CCCNc1cc(nc(n1)[S](C)(=O)=O)c2ccc3n(CCCN(C)C)ccc3c2 | | InChi: | InChI=1S/C21H29N5O2S/c1-5-10-22-20-15-18(23-21(24-20)29(4,27)28)16-7-8-19-17(14-16)9-13-26(19)12-6-11-25(2)3/h7-9,13-15H,5-6,10-12H2,1-4H3,(H,22,23,24) | | Definition date: | 2020-01-28 | | Last modified: | 2021-04-23 | | Release date: | 2021-04-28 | | Identifier: | 6-[1-[3-(dimethylamino)propyl]indol-5-yl]-2-methylsulfonyl-~{N}-propyl-pyrimidin-4-amine |
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 | | BPP | | Name: | 2-(4-benzylpiperidine-1-carbonyl)-1H-indole-5-carboximidamide | | Formula: | C22 H24 N4 O | | SMILES: | O=C(c1cc2cc(ccc2[NH]1)C(=N)N)N1CCC(Cc2ccccc2)CC1 | | InChi: | InChI=1S/C22H24N4O/c23-21(24)17-6-7-19-18(13-17)14-20(25-19)22(27)26-10-8-16(9-11-26)12-15-4-2-1-3-5-15/h1-7,13-14,16,25H,8-12H2,(H3,23,24) | | Synonyms: | 5-amidinoindole-4-benzylpiperidin | | Definition date: | 1999-10-11 | | Last modified: | 2021-04-19 | | Identifier: | 2-(4-benzylpiperidine-1-carbonyl)-1H-indole-5-carboximidamide |
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 | | XSG | | Name: | 7-[(1R)-3-{[(1R)-2,3-dihydro-1H-inden-1-yl]amino}-1-phenylpropyl]-3H-[1,2,3]triazolo[4,5-b]pyridin-5-amine | | Formula: | C23 H24 N6 | | SMILES: | C(NC2c1ccccc1CC2)CC(c3c4c(nc(N)c3)nnn4)c5ccccc5 | | InChi: | InChI=1S/C23H24N6/c24-21-14-19(22-23(26-21)28-29-27-22)17(15-6-2-1-3-7-15)12-13-25-20-11-10-16-8-4-5-9-18(16)20/h1-9,14,17,20,25H,10-13H2,(H3,24,26,27,28,29)/t17-,20-/m1/s1 | | Definition date: | 2021-01-08 | | Last modified: | 2021-04-16 | | Release date: | 2021-04-21 | | Identifier: | 7-[(1R)-3-{[(1R)-2,3-dihydro-1H-inden-1-yl]amino}-1-phenylpropyl]-3H-[1,2,3]triazolo[4,5-b]pyridin-5-amine |
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 | | U9N | | Name: | [(2~{S})-3-[2-azanylethoxy(oxidanyl)phosphoryl]oxy-2-decanoyloxy-propyl] octadecanoate | | Formula: | C33 H66 N O8 P | | SMILES: | CCCCCCCCCCCCCCCCCC(=O)OC[CH](CO[P](O)(=O)OCCN)OC(=O)CCCCCCCCC | | InChi: | InChI=1S/C33H66NO8P/c1-3-5-7-9-11-12-13-14-15-16-17-18-20-21-23-25-32(35)39-29-31(30-41-43(37,38)40-28-27-34)42-33(36)26-24-22-19-10-8-6-4-2/h31H,3-30,34H2,1-2H3,(H,37,38)/t31-/m0/s1 | | Definition date: | 2021-02-08 | | Last modified: | 2021-04-16 | | Release date: | 2021-04-21 | | Identifier: | [(2~{S})-3-[2-azanylethoxy(oxidanyl)phosphoryl]oxy-2-decanoyloxy-propyl] octadecanoate |
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 | | V2V | | Name: | CDP-ribitol | | Formula: | C14 H25 N3 O15 P2 | | SMILES: | C1=CN(C(N=C1N)=O)C2C(C(C(COP(=O)(O)OP(=O)(O)OCC(C(C(CO)O)O)O)O2)O)O | | InChi: | InChI=1S/C14H25N3O15P2/c15-9-1-2-17(14(24)16-9)13-12(23)11(22)8(31-13)5-30-34(27,28)32-33(25,26)29-4-7(20)10(21)6(19)3-18/h1-2,6-8,10-13,18-23H,3-5H2,(H,25,26)(H,27,28)(H2,15,16,24)/t6-,7+,8+,10-,11+,12+,13+/m0/s1 | | Synonyms: | [(2R,3S,4R,5R)-5-(4-amino-2-oxopyrimidin-1(2H)-yl)-3,4-dihydroxytetrahydrofuran-2-yl]methyl (2R,3S,4S)-2,3,4,5-tetrahydroxypentyl dihydrogen diphosphate | | Definition date: | 2020-06-19 | | Last modified: | 2021-04-16 | | Release date: | 2021-04-21 | | Identifier: | [(2R,3S,4R,5R)-5-(4-amino-2-oxopyrimidin-1(2H)-yl)-3,4-dihydroxytetrahydrofuran-2-yl]methyl (2R,3S,4S)-2,3,4,5-tetrahydroxypentyl dihydrogen diphosphate (non-preferred name) |
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 | | WFM | | Name: | (2R,3R,3aS,6S,6aR)-6-[(2-amino-3-bromoquinolin-7-yl)oxy]-2-(4-amino-7H-pyrrolo[2,3-d]pyrimidin-7-yl)hexahydro-3aH-cyclopenta[b]furan-3,3a-diol | | Formula: | C22 H21 Br N6 O4 | | SMILES: | n6c5c(ccc(OC2C1OC(C(O)C1(CC2)O)n4c3ncnc(c3cc4)N)c5)cc(c6N)Br | | InChi: | InChI=1S/C22H21BrN6O4/c23-13-7-10-1-2-11(8-14(10)28-19(13)25)32-15-3-5-22(31)16(30)21(33-17(15)22)29-6-4-12-18(24)26-9-27-20(12)29/h1-2,4,6-9,15-17,21,30-31H,3,5H2,(H2,25,28)(H2,24,26,27)/t15-,16-,17+,21+,22-/m0/s1 | | Definition date: | 2020-10-26 | | Last modified: | 2021-04-16 | | Release date: | 2021-04-21 | | Identifier: | (2R,3R,3aS,6S,6aR)-6-[(2-amino-3-bromoquinolin-7-yl)oxy]-2-(4-amino-7H-pyrrolo[2,3-d]pyrimidin-7-yl)hexahydro-3aH-cyclopenta[b]furan-3,3a-diol |
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 | | WFS | | Name: | (2R,3R,3aS,6S,6aR)-6-[(2-amino-3-bromoquinolin-7-yl)oxy]-2-(4-methyl-7H-pyrrolo[2,3-d]pyrimidin-7-yl)hexahydro-3aH-cyclopenta[b]furan-3,3a-diol | | Formula: | C23 H22 Br N5 O4 | | SMILES: | Nc6c(cc5ccc(OC1CCC2(C(O)C(OC12)n4c3c(c(ncn3)C)cc4)O)cc5n6)Br | | InChi: | InChI=1S/C23H22BrN5O4/c1-11-14-5-7-29(21(14)27-10-26-11)22-18(30)23(31)6-4-17(19(23)33-22)32-13-3-2-12-8-15(24)20(25)28-16(12)9-13/h2-3,5,7-10,17-19,22,30-31H,4,6H2,1H3,(H2,25,28)/t17-,18-,19+,22+,23-/m0/s1 | | Definition date: | 2020-10-26 | | Last modified: | 2021-04-16 | | Release date: | 2021-04-21 | | Identifier: | (2R,3R,3aS,6S,6aR)-6-[(2-amino-3-bromoquinolin-7-yl)oxy]-2-(4-methyl-7H-pyrrolo[2,3-d]pyrimidin-7-yl)hexahydro-3aH-cyclopenta[b]furan-3,3a-diol |
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 | | WFV | | Name: | (1S,2R,3aR,4S,6aR)-4-[(2-amino-3,5-difluoroquinolin-7-yl)methyl]-2-(4-amino-5-fluoro-7H-pyrrolo[2,3-d]pyrimidin-7-yl)hexahydropentalene-1,6a(1H)-diol | | Formula: | C24 H23 F3 N6 O2 | | SMILES: | n1cnc2c(c1N)c(cn2C3CC4C(CCC4(C3O)O)Cc5cc6c(c(c5)F)cc(c(n6)N)F)F | | InChi: | InChI=1S/C24H23F3N6O2/c25-14-4-10(5-17-12(14)6-15(26)21(28)32-17)3-11-1-2-24(35)13(11)7-18(20(24)34)33-8-16(27)19-22(29)30-9-31-23(19)33/h4-6,8-9,11,13,18,20,34-35H,1-3,7H2,(H2,28,32)(H2,29,30,31)/t11-,13+,18+,20-,24+/m0/s1 | | Definition date: | 2020-10-26 | | Last modified: | 2021-04-16 | | Release date: | 2021-04-21 | | Identifier: | (1S,2R,3aR,4S,6aR)-4-[(2-amino-3,5-difluoroquinolin-7-yl)methyl]-2-(4-amino-5-fluoro-7H-pyrrolo[2,3-d]pyrimidin-7-yl)hexahydropentalene-1,6a(1H)-diol |
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 | | S8N | | Name: | (2~{R},5~{S},12~{R})-12-cyclohexyl-2-[2-(3,4-dimethoxyphenyl)ethyl]-15,15,16-trimethyl-3,19-dioxa-10,13,16-triazatricyclo[18.3.1.0^{5,10}]tetracosa-1(24),20,22-triene-4,11,14,17-tetrone | | Formula: | C38 H51 N3 O8 | | SMILES: | COc1ccc(CC[CH]2OC(=O)[CH]3CCCCN3C(=O)[CH](NC(=O)C(C)(C)N(C)C(=O)COc4cccc2c4)C5CCCCC5)cc1OC | | InChi: | InChI=1S/C38H51N3O8/c1-38(2)37(45)39-34(26-12-7-6-8-13-26)35(43)41-21-10-9-16-29(41)36(44)49-30(19-17-25-18-20-31(46-4)32(22-25)47-5)27-14-11-15-28(23-27)48-24-33(42)40(38)3/h11,14-15,18,20,22-23,26,29-30,34H,6-10,12-13,16-17,19,21,24H2,1-5H3,(H,39,45)/t29-,30+,34+/m0/s1 | | Definition date: | 2020-11-11 | | Last modified: | 2021-04-16 | | Release date: | 2021-04-21 | | Identifier: | (2~{R},5~{S},12~{R})-12-cyclohexyl-2-[2-(3,4-dimethoxyphenyl)ethyl]-15,15,16-trimethyl-3,19-dioxa-10,13,16-triazatricyclo[18.3.1.0^{5,10}]tetracosa-1(24),20,22-triene-4,11,14,17-tetrone |
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 | | RTQ | | Name: | (2R,5S,12R)-12-cyclohexyl-2-[2-(3,4-dimethoxyphenyl)ethyl]-3,19-dioxa-10,13,16-triazatricyclo[18.3.1.0-5,10]tetracosa- 1(24),20,22-triene-4,11,14,17-tetrone | | Formula: | C35 H45 N3 O8 | | SMILES: | COc1ccc(CC[CH]2OC(=O)[CH]3CCCCN3C(=O)[CH](NC(=O)CNC(=O)COc4cccc2c4)C5CCCCC5)cc1OC | | InChi: | InChI=1S/C35H45N3O8/c1-43-29-17-15-23(19-30(29)44-2)14-16-28-25-11-8-12-26(20-25)45-22-32(40)36-21-31(39)37-33(24-9-4-3-5-10-24)34(41)38-18-7-6-13-27(38)35(42)46-28/h8,11-12,15,17,19-20,24,27-28,33H,3-7,9-10,13-14,16,18,21-22H2,1-2H3,(H,36,40)(H,37,39)/t27-,28+,33+/m0/s1 | | Synonyms: | (2~{R},5~{S},12~{R})-12-cyclohexyl-2-[2-(3,4-dimethoxyphenyl)ethyl]-3,19-dioxa-10,13,16-triazatricyclo[18.3.1.0^{5,10}]tetracosa-1(24),20,22-triene-4,11,14,17-tetrone | | Definition date: | 2020-10-20 | | Last modified: | 2021-04-16 | | Release date: | 2021-04-21 | | Identifier: | (2~{R},5~{S},12~{R})-12-cyclohexyl-2-[2-(3,4-dimethoxyphenyl)ethyl]-3,19-dioxa-10,13,16-triazatricyclo[18.3.1.0^{5,10}]tetracosa-1(24),20,22-triene-4,11,14,17-tetrone |
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 | | RTT | | Name: | (2'R,5'S,12'R)-12'-cyclohexyl-2'-[2-(3,4-dimethoxyphenyl)ethyl]-3',19'-dioxa-10',13',16'-triazaspiro[cyclopropane-1,15'- tricyclo[18.3.1.0-5,10]tetracosane]-1'(24'),20',22'-triene-4',11',14',17'-tetrone | | Formula: | C37 H47 N3 O8 | | SMILES: | COc1ccc(CC[CH]2OC(=O)[CH]3CCCCN3C(=O)[CH](NC(=O)C4(CC4)NC(=O)COc5cccc2c5)C6CCCCC6)cc1OC | | InChi: | InChI=1S/C37H47N3O8/c1-45-30-17-15-24(21-31(30)46-2)14-16-29-26-11-8-12-27(22-26)47-23-32(41)39-37(18-19-37)36(44)38-33(25-9-4-3-5-10-25)34(42)40-20-7-6-13-28(40)35(43)48-29/h8,11-12,15,17,21-22,25,28-29,33H,3-7,9-10,13-14,16,18-20,23H2,1-2H3,(H,38,44)(H,39,41)/t28-,29+,33+/m0/s1 | | Synonyms: | (2~{R},5~{S},12~{R})-12-cyclohexyl-2-[2-(3,4-dimethoxyphenyl)ethyl]spiro[3,19-dioxa-10,13,16-triazatricyclo[18.3.1.0^{5,10}]tetracosa-1(24),20,22-triene-15,1'-cyclopropane]-4,11,14,17-tetrone | | Definition date: | 2020-10-20 | | Last modified: | 2021-04-16 | | Release date: | 2021-04-21 | | Identifier: | (2~{R},5~{S},12~{R})-12-cyclohexyl-2-[2-(3,4-dimethoxyphenyl)ethyl]spiro[3,19-dioxa-10,13,16-triazatricyclo[18.3.1.0^{5,10}]tetracosa-1(24),20,22-triene-15,1'-cyclopropane]-4,11,14,17-tetrone |
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 | | YBG | | Name: | 1-palmitoyl-2-oleoyl-sn-glycero-3-phosphoinositol | | Formula: | C43 H81 O13 P | | SMILES: | CCCCCCCCCCCCCCCC(=O)OC[CH](CO[P](O)(=O)O[CH]1[CH](O)[CH](O)[CH](O)[CH](O)[CH]1O)OC(=O)CCCCCCCC=CCCCCCCCC | | InChi: | InChI=1S/C43H81O13P/c1-3-5-7-9-11-13-15-17-18-20-22-24-26-28-30-32-37(45)55-35(34-54-57(51,52)56-43-41(49)39(47)38(46)40(48)42(43)50)33-53-36(44)31-29-27-25-23-21-19-16-14-12-10-8-6-4-2/h17-18,35,38-43,46-50H,3-16,19-34H2,1-2H3,(H,51,52)/b18-17+/t35-,38-,39+,40-,41+,42+,43-/m0/s1 | | Definition date: | 2021-02-16 | | Last modified: | 2021-04-16 | | Release date: | 2021-04-21 | | Identifier: | [(2~{S})-1-hexadecanoyloxy-3-[oxidanyl-[(2~{R},3~{S},5~{R},6~{R})-2,3,4,5,6-pentakis(oxidanyl)cyclohexyl]oxy-phosphoryl]oxy-propan-2-yl] (~{E})-octadec-9-enoate |
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