 | | YIJ | | Name: | (1R)-1-[(5aR,7aR,9R,11aS,11bS,12R,13aR)-9,12-dihydroxy-2,11a-dimethyl-1,2,3,4,7a,8,9,10,11,11a,12,13-dodecahydro-7H-9,11b-epoxy-13a,5a-prop[1]enophenanthro[2,1-f][1,4]oxazepin-14-yl]ethyl benzoate | | Formula: | C31 H39 N O6 | | SMILES: | CC(OC(=O)c1ccccc1)C1=CCC23OCCN(C)CC13CC(O)C13OC4(O)CC(CC=C12)C3(C)CC4 | | InChi: | InChI=1S/C31H39NO6/c1-20(37-26(34)21-7-5-4-6-8-21)23-11-12-30-24-10-9-22-17-29(35)14-13-27(22,2)31(24,38-29)25(33)18-28(23,30)19-32(3)15-16-36-30/h4-8,10-11,20,22,25,33,35H,9,12-19H2,1-3H3/t20-,22-,25-,27+,28+,29-,30+,31+/m1/s1 | | Definition date: | 2023-06-19 | | Last modified: | 2024-03-01 | | Release date: | 2024-03-06 | | Identifier: | (1R)-1-[(5aR,7aR,9R,11aS,11bS,12R,13aR)-9,12-dihydroxy-2,11a-dimethyl-1,2,3,4,7a,8,9,10,11,11a,12,13-dodecahydro-7H-9,11b-epoxy-13a,5a-prop[1]enophenanthro[2,1-f][1,4]oxazepin-14-yl]ethyl benzoate |
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 | | YMC | | Name: | 4-[[4-(3-hydroxyphenyl)phenyl]amino]-1,2-benzoxazol-3-ol | | Formula: | C19 H14 N2 O3 | | SMILES: | Oc1cccc(c1)c2ccc(Nc3cccc4onc(O)c34)cc2 | | InChi: | InChI=1S/C19H14N2O3/c22-15-4-1-3-13(11-15)12-7-9-14(10-8-12)20-16-5-2-6-17-18(16)19(23)21-24-17/h1-11,20,22H,(H,21,23) | | Synonyms: | 4-[(3'-hydroxy[1,1'-biphenyl]-4-yl)amino]-1,2-benzoxazol-3-ol | | Definition date: | 2023-12-05 | | Last modified: | 2024-03-01 | | Release date: | 2024-03-06 | | Identifier: | 4-[[4-(3-hydroxyphenyl)phenyl]amino]-1,2-benzoxazol-3-ol |
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 | | YQT | | Name: | 3-pyridin-4-yl-1~{H}-pyrrolo[3,2-g]isoquinoline | | Formula: | C16 H11 N3 | | SMILES: | [nH]1cc(c2ccncc2)c3cc4ccncc4cc13 | | InChi: | InChI=1S/C16H11N3/c1-4-17-5-2-11(1)15-10-19-16-8-13-9-18-6-3-12(13)7-14(15)16/h1-10,19H | | Definition date: | 2023-12-11 | | Last modified: | 2024-03-01 | | Release date: | 2024-03-06 | | Identifier: | 3-pyridin-4-yl-1~{H}-pyrrolo[3,2-g]isoquinoline |
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 | | YW0 | | Name: | methyl 2-formyl-2-[4-(undec-10-ynamido)phenyl]hydrazine-1-carboxylate | | Formula: | C20 H27 N3 O4 | | SMILES: | C#CCCCCCCCCC(=O)Nc1ccc(cc1)N(NC(=O)OC)C=O | | InChi: | InChI=1S/C20H27N3O4/c1-3-4-5-6-7-8-9-10-11-19(25)21-17-12-14-18(15-13-17)23(16-24)22-20(26)27-2/h1,12-16H,4-11H2,2H3,(H,21,25)(H,22,26) | | Definition date: | 2023-06-22 | | Last modified: | 2024-03-01 | | Release date: | 2024-03-06 | | Identifier: | methyl 2-formyl-2-[4-(undec-10-ynamido)phenyl]hydrazine-1-carboxylate |
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 | | YWQ | | Name: | uridine 5'-heptaphosphate | | Formula: | C9 H19 N2 O27 P7 | | SMILES: | O=P(O)(O)OP(=O)(O)OP(=O)(O)OP(=O)(O)OP(=O)(O)OP(=O)(O)OP(=O)(O)OCC1OC(N2C=CC(=O)NC2=O)C(O)C1O | | InChi: | InChI=1S/C9H19N2O27P7/c12-5-1-2-11(9(15)10-5)8-7(14)6(13)4(32-8)3-31-40(19,20)34-42(23,24)36-44(27,28)38-45(29,30)37-43(25,26)35-41(21,22)33-39(16,17)18/h1-2,4,6-8,13-14H,3H2,(H,19,20)(H,21,22)(H,23,24)(H,25,26)(H,27,28)(H,29,30)(H,10,12,15)(H2,16,17,18)/t4-,6+,7+,8-/m0/s1 | | Definition date: | 2023-03-02 | | Last modified: | 2024-03-01 | | Release date: | 2024-03-06 | | Identifier: | 1-{5-O-[(R)-hydroxy{[(R)-hydroxy{[(R)-hydroxy{[(R)-hydroxy{[(S)-hydroxy{[(R)-hydroxy(phosphonooxy)phosphoryl]oxy}phosphoryl]oxy}phosphoryl]oxy}phosphoryl]oxy}phosphoryl]oxy}phosphoryl]-beta-L-lyxofuranosyl}pyrimidine-2,4(1H,3H)-dione |
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 | | Q1L | | Name: | (2R,3R,4R,5R,6S)-2-(hydroxymethyl)-6-[2-(2-methyl-1,3-benzothiazol-6-yl)-1,2,4-triazol-3-yl]-4-[4-[3,4,5-tris(fluoranyl)phenyl]-1,2,3-triazol-1-yl]oxane-3,5-diol | | Formula: | C24 H20 F3 N7 O4 S | | SMILES: | Cc1sc2cc(ccc2n1)n3ncnc3[CH]4O[CH](CO)[CH](O)[CH]([CH]4O)n5cc(nn5)c6cc(F)c(F)c(F)c6 | | InChi: | InChI=1S/C24H20F3N7O4S/c1-10-30-15-3-2-12(6-18(15)39-10)34-24(28-9-29-34)23-22(37)20(21(36)17(8-35)38-23)33-7-16(31-32-33)11-4-13(25)19(27)14(26)5-11/h2-7,9,17,20-23,35-37H,8H2,1H3/t17-,20+,21+,22-,23-/m1/s1 | | Definition date: | 2023-03-10 | | Last modified: | 2024-03-01 | | Release date: | 2024-03-06 | | Identifier: | (2~{R},3~{R},4~{R},5~{R},6~{S})-2-(hydroxymethyl)-6-[2-(2-methyl-1,3-benzothiazol-6-yl)-1,2,4-triazol-3-yl]-4-[4-[3,4,5-tris(fluoranyl)phenyl]-1,2,3-triazol-1-yl]oxane-3,5-diol |
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 | | M3X | | Name: | (2~{S})-2-azanyl-6-[[4-azanyl-1-[(2~{R},3~{R},4~{S},5~{R})-3,4-bis(oxidanyl)-5-(phosphonooxymethyl)oxolan-2-yl]pyrimidin-1-ium-2-yl]amino]hexanoic acid | | Formula: | C15 H27 N5 O9 P | | SMILES: | N[CH](CCCCNc1nc(N)cc[n+]1[CH]2O[CH](CO[P](O)(O)=O)[CH](O)[CH]2O)C(O)=O | | InChi: | InChI=1S/C15H26N5O9P/c16-8(14(23)24)3-1-2-5-18-15-19-10(17)4-6-20(15)13-12(22)11(21)9(29-13)7-28-30(25,26)27/h4,6,8-9,11-13,21-22H,1-3,5,7,16H2,(H5,17,18,19,23,24,25,26,27)/p+1/t8-,9+,11+,12+,13+/m0/s1 | | Synonyms: | lysidine 5'-monophosphate | | Definition date: | 2022-12-22 | | Last modified: | 2024-03-01 | | Release date: | 2024-03-06 | | Identifier: | (2~{S})-2-azanyl-6-[[4-azanyl-1-[(2~{R},3~{R},4~{S},5~{R})-3,4-bis(oxidanyl)-5-(phosphonooxymethyl)oxolan-2-yl]pyrimidin-1-ium-2-yl]amino]hexanoic acid |
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 | | A1LU8 | | Name: | 2,6-bis(fluoranyl)-4-[4-(4-morpholin-4-ylphenyl)pyridin-3-yl]phenol | | Formula: | C21 H18 F2 N2 O2 | | SMILES: | Oc1c(F)cc(cc1F)c2cnccc2c3ccc(cc3)N4CCOCC4 | | InChi: | InChI=1S/C21H18F2N2O2/c22-19-11-15(12-20(23)21(19)26)18-13-24-6-5-17(18)14-1-3-16(4-2-14)25-7-9-27-10-8-25/h1-6,11-13,26H,7-10H2 | | Definition date: | 2023-12-15 | | Last modified: | 2024-03-01 | | Release date: | 2024-03-06 | | Identifier: | 2,6-bis(fluoranyl)-4-[4-(4-morpholin-4-ylphenyl)pyridin-3-yl]phenol |
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 | | ZR0 | | Name: | 4-bromobenzene-1,3-dicarboxylic acid | | Formula: | C8 H5 Br O4 | | SMILES: | OC(=O)c1cc(ccc1Br)C(=O)O | | InChi: | InChI=1S/C8H5BrO4/c9-6-2-1-4(7(10)11)3-5(6)8(12)13/h1-3H,(H,10,11)(H,12,13) | | Definition date: | 2023-07-03 | | Last modified: | 2024-03-01 | | Release date: | 2024-03-06 | | Identifier: | 4-bromobenzene-1,3-dicarboxylic acid |
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 | | ZR3 | | Name: | 2-chloro-5-(2-oxoimidazolidin-1-yl)benzoic acid | | Formula: | C10 H9 Cl N2 O3 | | SMILES: | O=C(O)c1cc(ccc1Cl)N1CCNC1=O | | InChi: | InChI=1S/C10H9ClN2O3/c11-8-2-1-6(5-7(8)9(14)15)13-4-3-12-10(13)16/h1-2,5H,3-4H2,(H,12,16)(H,14,15) | | Definition date: | 2023-07-03 | | Last modified: | 2024-03-01 | | Release date: | 2024-03-06 | | Identifier: | 2-chloro-5-(2-oxoimidazolidin-1-yl)benzoic acid |
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 | | ZR6 | | Name: | 2-methyl-3-(2-oxoimidazolidin-1-yl)benzoic acid | | Formula: | C11 H12 N2 O3 | | SMILES: | O=C(O)c1cccc(c1C)N1CCNC1=O | | InChi: | InChI=1S/C11H12N2O3/c1-7-8(10(14)15)3-2-4-9(7)13-6-5-12-11(13)16/h2-4H,5-6H2,1H3,(H,12,16)(H,14,15) | | Definition date: | 2023-07-03 | | Last modified: | 2024-03-01 | | Release date: | 2024-03-06 | | Identifier: | 2-methyl-3-(2-oxoimidazolidin-1-yl)benzoic acid |
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 | | ZR9 | | Name: | 2,4-dioxo-1,2,3,4-tetrahydroquinazoline-6-carboxylic acid | | Formula: | C9 H6 N2 O4 | | SMILES: | O=C(O)c1ccc2NC(=O)NC(=O)c2c1 | | InChi: | InChI=1S/C9H6N2O4/c12-7-5-3-4(8(13)14)1-2-6(5)10-9(15)11-7/h1-3H,(H,13,14)(H2,10,11,12,15) | | Definition date: | 2023-07-03 | | Last modified: | 2024-03-01 | | Release date: | 2024-03-06 | | Identifier: | 2,4-dioxo-1,2,3,4-tetrahydroquinazoline-6-carboxylic acid |
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 | | ZRE | | Name: | 7-fluoro-2-oxo-1,2,3,4-tetrahydroquinoline-6-carboxylic acid | | Formula: | C10 H8 F N O3 | | SMILES: | O=C(O)c1cc2CCC(=O)Nc2cc1F | | InChi: | InChI=1S/C10H8FNO3/c11-7-4-8-5(1-2-9(13)12-8)3-6(7)10(14)15/h3-4H,1-2H2,(H,12,13)(H,14,15) | | Definition date: | 2023-07-03 | | Last modified: | 2024-03-01 | | Release date: | 2024-03-06 | | Identifier: | 7-fluoro-2-oxo-1,2,3,4-tetrahydroquinoline-6-carboxylic acid |
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 | | ZRI | | Name: | (1S,2S)-2-(pyridin-2-yl)cyclopropane-1-carboxylic acid | | Formula: | C9 H9 N O2 | | SMILES: | O=C(O)C1CC1c1ccccn1 | | InChi: | InChI=1S/C9H9NO2/c11-9(12)7-5-6(7)8-3-1-2-4-10-8/h1-4,6-7H,5H2,(H,11,12)/t6-,7-/m0/s1 | | Definition date: | 2023-07-03 | | Last modified: | 2024-03-01 | | Release date: | 2024-03-06 | | Identifier: | (1S,2S)-2-(pyridin-2-yl)cyclopropane-1-carboxylic acid |
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 | | ZRZ | | Name: | 3-(6-oxa-9-azaspiro[4.5]decane-9-carbonyl)benzoic acid | | Formula: | C16 H19 N O4 | | SMILES: | O=C(O)c1cccc(c1)C(=O)N1CC2(CCCC2)OCC1 | | InChi: | InChI=1S/C16H19NO4/c18-14(12-4-3-5-13(10-12)15(19)20)17-8-9-21-16(11-17)6-1-2-7-16/h3-5,10H,1-2,6-9,11H2,(H,19,20) | | Definition date: | 2023-07-03 | | Last modified: | 2024-03-01 | | Release date: | 2024-03-06 | | Identifier: | 3-(6-oxa-9-azaspiro[4.5]decane-9-carbonyl)benzoic acid |
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 | | ZS5 | | Name: | (3R,4S,7aR)-5-oxo-7a-phenylhexahydropyrrolo[2,1-b][1,3]thiazole-3-carboxylic acid | | Formula: | C13 H13 N O3 S | | SMILES: | O=C(O)C1CSC2(CCC(=O)N12)c1ccccc1 | | InChi: | InChI=1S/C13H13NO3S/c15-11-6-7-13(9-4-2-1-3-5-9)14(11)10(8-18-13)12(16)17/h1-5,10H,6-8H2,(H,16,17)/t10-,13+/m0/s1 | | Definition date: | 2023-07-03 | | Last modified: | 2024-03-01 | | Release date: | 2024-03-06 | | Identifier: | (3R,4S,7aR)-5-oxo-7a-phenylhexahydropyrrolo[2,1-b][1,3]thiazole-3-carboxylic acid |
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 | | UR9 | | Name: | (E)-4-methoxy-4-oxidanylidene-but-2-enoic acid | | Formula: | C5 H6 O4 | | SMILES: | COC(=O)C=CC(O)=O | | InChi: | InChI=1S/C5H6O4/c1-9-5(8)3-2-4(6)7/h2-3H,1H3,(H,6,7)/b3-2+ | | Synonyms: | Monomethyl fumarate | | Definition date: | 2023-06-18 | | Last modified: | 2024-03-01 | | Release date: | 2024-03-06 | | Identifier: | (~{E})-4-methoxy-4-oxidanylidene-but-2-enoic acid |
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 | | V70 | | Name: | ruthenium polypyridyl complex (delta enantiomer) | | Formula: | C38 H24 N6 Ru | | SMILES: | [N-]1c2c([N-][Ru]134([n+]5cccc6ccc7ccc[n+]3c7c56)[n+]8cccc9ccc%10ccc[n+]4c%10c89)c%11ccccc%11c%12ccccc2%12 | | InChi: | InChI=1S/C14H8N2.2C12H8N2.Ru/c15-13-11-7-3-1-5-9(11)10-6-2-4-8-12(10)14(13)16 | | Definition date: | 2023-02-23 | | Last modified: | 2024-03-01 | | Release date: | 2024-03-06 |
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 | | V7F | | Name: | ruthenium polypyridyl complex (lambda enantiomer) | | Formula: | C38 H24 N6 Ru | | SMILES: | [N-]1c2c([N-][Ru]134([n+]5cccc6ccc7ccc[n+]3c7c56)[n+]8cccc9ccc%10ccc[n+]4c%10c89)c%11ccccc%11c%12ccccc2%12 | | InChi: | InChI=1S/C14H8N2.2C12H8N2.Ru/c15-13-11-7-3-1-5-9(11)10-6-2-4-8-12(10)14(13)16 | | Definition date: | 2023-02-23 | | Last modified: | 2024-03-01 | | Release date: | 2024-03-06 |
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 | | VCI | | Name: | ~{N}-[4-[2,6-bis(azanyl)-5-(2-cyclopropylethynyl)pyrimidin-4-yl]phenyl]methanesulfonamide | | Formula: | C16 H17 N5 O2 S | | SMILES: | C[S](=O)(=O)Nc1ccc(cc1)c2nc(N)nc(N)c2C#CC3CC3 | | InChi: | InChI=1S/C16H17N5O2S/c1-24(22,23)21-12-7-5-11(6-8-12)14-13(9-4-10-2-3-10)15(17)20-16(18)19-14/h5-8,10,21H,2-3H2,1H3,(H4,17,18,19,20) | | Definition date: | 2023-03-01 | | Last modified: | 2024-03-01 | | Release date: | 2024-03-06 | | Identifier: | ~{N}-[4-[2,6-bis(azanyl)-5-(2-cyclopropylethynyl)pyrimidin-4-yl]phenyl]methanesulfonamide |
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 | | VDT | | Name: | 5-(2-cyclopropylethynyl)-6-(2-methoxyphenyl)pyrimidine-2,4-diamine | | Formula: | C16 H16 N4 O | | SMILES: | COc1ccccc1c2nc(N)nc(N)c2C#CC3CC3 | | InChi: | InChI=1S/C16H16N4O/c1-21-13-5-3-2-4-11(13)14-12(9-8-10-6-7-10)15(17)20-16(18)19-14/h2-5,10H,6-7H2,1H3,(H4,17,18,19,20) | | Definition date: | 2023-03-01 | | Last modified: | 2024-03-01 | | Release date: | 2024-03-06 | | Identifier: | 5-(2-cyclopropylethynyl)-6-(2-methoxyphenyl)pyrimidine-2,4-diamine |
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 | | VTX | | Name: | Vortioxetine | | Formula: | C18 H22 N2 S | | SMILES: | Cc1ccc(Sc2ccccc2N3CCNCC3)c(C)c1 | | InChi: | InChI=1S/C18H22N2S/c1-14-7-8-17(15(2)13-14)21-18-6-4-3-5-16(18)20-11-9-19-10-12-20/h3-8,13,19H,9-12H2,1-2H3 | | Synonyms: | 1-[2-(2,4-dimethylphenyl)sulfanylphenyl]piperazine | | Definition date: | 2022-07-27 | | Last modified: | 2024-03-01 | | Release date: | 2024-03-06 | | Identifier: | 1-[2-(2,4-dimethylphenyl)sulfanylphenyl]piperazine |
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 | | NWF | | Name: | 5-chloranyl-~{N}-[[(9~{S},15~{R})-8,14,17-tris(oxidanylidene)-3,20-dithia-7,13,16-triazatetracyclo[20.2.2.1^{5,7}.1^{9,13}]octacosa-1(25),22(26),23-trien-15-yl]methyl]thiophene-2-carboxamide | | Formula: | C29 H35 Cl N4 O4 S3 | | SMILES: | Clc1sc(cc1)C(=O)NC[CH]2NC(=O)CCSCc3ccc(CSCC4CN(C4)C(=O)[CH]5CCC[N](C5)C2=O)cc3 | | InChi: | InChI=1S/C29H35ClN4O4S3/c30-25-8-7-24(41-25)27(36)31-12-23-29(38)33-10-1-2-22(15-33)28(37)34-13-21(14-34)18-40-17-20-5-3-19(4-6-20)16-39-11-9-26(35)32-23/h3-8,21-23H,1-2,9-18H2,(H,31,36)(H,32,35)/t22-,23+/m0/s1 | | Definition date: | 2022-08-24 | | Last modified: | 2024-03-01 | | Release date: | 2024-03-06 | | Identifier: | 5-chloranyl-~{N}-[[(9~{S},15~{R})-8,14,17-tris(oxidanylidene)-3,20-dithia-7,13,16-triazatetracyclo[20.2.2.1^{5,7}.1^{9,13}]octacosa-1(25),22(26),23-trien-15-yl]methyl]thiophene-2-carboxamide |
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 | | JL3 | | Name: | [(2~{R})-3-[2-azanylethoxy(oxidanyl)phosphoryl]oxy-2-pentadecanoyloxy-propyl] pentadecanoate | | Formula: | C35 H70 N O8 P | | SMILES: | CCCCCCCCCCCCCCC(=O)OC[CH](CO[P](O)(=O)OCCN)OC(=O)CCCCCCCCCCCCCC | | InChi: | InChI=1S/C35H70NO8P/c1-3-5-7-9-11-13-15-17-19-21-23-25-27-34(37)41-31-33(32-43-45(39,40)42-30-29-36)44-35(38)28-26-24-22-20-18-16-14-12-10-8-6-4-2/h33H,3-32,36H2,1-2H3,(H,39,40)/t33-/m1/s1 | | Synonyms: | 1,2-Dipentadecanoyl-sn-glycero-3-phosphoethanolamine | | Definition date: | 2023-08-08 | | Last modified: | 2024-03-01 | | Release date: | 2024-03-06 | | Identifier: | [(2~{R})-3-[2-azanylethoxy(oxidanyl)phosphoryl]oxy-2-pentadecanoyloxy-propyl] pentadecanoate |
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 | | JLQ | | Name: | [(2~{R})-3-[2-azanylethoxy(oxidanyl)phosphoryl]oxy-2-tetradecanoyloxy-propyl] hexadecanoate | | Formula: | C35 H70 N O8 P | | SMILES: | CCCCCCCCCCCCCCCC(=O)OC[CH](CO[P](O)(=O)OCCN)OC(=O)CCCCCCCCCCCCC | | InChi: | InChI=1S/C35H70NO8P/c1-3-5-7-9-11-13-15-16-18-19-21-23-25-27-34(37)41-31-33(32-43-45(39,40)42-30-29-36)44-35(38)28-26-24-22-20-17-14-12-10-8-6-4-2/h33H,3-32,36H2,1-2H3,(H,39,40)/t33-/m1/s1 | | Synonyms: | 1-hexadecanoyl-2-tetradecanoyl-sn-glycero-3-phosphoethanolamine | | Definition date: | 2023-08-08 | | Last modified: | 2024-03-01 | | Release date: | 2024-03-06 | | Identifier: | [(2~{R})-3-[2-azanylethoxy(oxidanyl)phosphoryl]oxy-2-tetradecanoyloxy-propyl] hexadecanoate |
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