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VOF
VOF
表記:(2~{R})-2-fluoranyl-2-(4-fluoranyl-1,2,4$l^{4}-triazacyclopenta-2,4-dien-1-yl)-1-phenyl-ethanone
組成式:C10 H8 F2 N3 O
SMILES:F[CH](n1c[n](F)cn1)C(=O)c2ccccc2
InChi:InChI=1S/C10H8F2N3O/c11-10(15-7-14(12)6-13-15)9(16)8-4-2-1-3-5-8/h1-7,10H/t10-/m0/s1
定義日:2023-03-21
最終更新日:2024-03-29
公開日:2024-04-03
識別子（ID）:(2~{R})-2-fluoranyl-2-(4-fluoranyl-1,2,4$l^{4}-triazacyclopenta-2,4-dien-1-yl)-1-phenyl-ethanone
W5X
W5X
表記:PF-3463275
組成式:C19 H22 Cl F N4 O
SMILES:CN1C[CH]2[CH](C1)C2CN(Cc3ccc(F)c(Cl)c3)C(=O)c4cn(C)cn4
InChi:InChI=1S/C19H22ClFN4O/c1-23-7-13-14(8-23)15(13)9-25(19(26)18-10-24(2)11-22-18)6-12-3-4-17(21)16(20)5-12/h3-5,10-11,13-15H,6-9H2,1-2H3/t13-,14+,15-
別名:~{N}-[(3-chloranyl-4-fluoranyl-phenyl)methyl]-1-methyl-~{N}-[[(1~{R},5~{S})-3-methyl-3-azabicyclo[3.1.0]hexan-6-yl]methyl]imidazole-4-carboxamide
定義日:2023-09-20
最終更新日:2024-03-29
公開日:2024-04-03
識別子（ID）:~{N}-[(3-chloranyl-4-fluoranyl-phenyl)methyl]-1-methyl-~{N}-[[(1~{R},5~{S})-3-methyl-3-azabicyclo[3.1.0]hexan-6-yl]methyl]imidazole-4-carboxamide
YJK
YJK
表記:4-[(3,4-dichlorophenyl)methyl]-~{N}-[[5-[2-(4-fluorophenyl)ethylcarbamoyl]furan-2-yl]methyl]-4-(3-phenylpropyl)-1,4$l^{4}-diazinane-1-carboxamide
組成式:C35 H38 Cl2 F N4 O3
SMILES:Fc1ccc(CCNC(=O)c2oc(CNC(=O)N3CC[N](CCCc4ccccc4)(CC3)Cc5ccc(Cl)c(Cl)c5)cc2)cc1
InChi:InChI=1S/C35H38Cl2FN4O3/c36-31-14-10-28(23-32(31)37)25-42(20-4-7-26-5-2-1-3-6-26)21-18-41(19-22-42)35(44)40-24-30-13-15-33(45-30)34(43)39-17-16-27-8-11-29(38)12-9-27/h1-3,5-6,8-15,23H,4,7,16-22,24-25H2,(H,39,43)(H,40,44)
定義日:2023-06-19
最終更新日:2024-03-29
公開日:2024-04-03
識別子（ID）:4-[(3,4-dichlorophenyl)methyl]-~{N}-[[5-[2-(4-fluorophenyl)ethylcarbamoyl]furan-2-yl]methyl]-4-(3-phenylpropyl)-1,4$l^{4}-diazinane-1-carboxamide
Y2I
Y2I
表記:N-{(1R)-1-[(3P,5P)-3-(1-cyclopropyl-1H-pyrazol-4-yl)-5-(1-methyl-1H-pyrazol-4-yl)phenyl]ethyl}-5-[2-(dimethylamino)ethoxy]-2-methylbenzamide
組成式:C30 H36 N6 O2
SMILES:CN(C)CCOc1cc(c(C)cc1)C(=O)NC(C)c1cc(cc(c1)c1cn(nc1)C1CC1)c1cn(C)nc1
InChi:InChI=1S/C30H36N6O2/c1-20-6-9-28(38-11-10-34(3)4)15-29(20)30(37)33-21(2)22-12-23(25-16-31-35(5)18-25)14-24(13-22)26-17-32-36(19-26)27-7-8-27/h6,9,12-19,21,27H,7-8,10-11H2,1-5H3,(H,33,37)
定義日:2023-11-14
最終更新日:2024-03-29
公開日:2024-04-03
識別子（ID）:N-{(1R)-1-[(3P,5P)-3-(1-cyclopropyl-1H-pyrazol-4-yl)-5-(1-methyl-1H-pyrazol-4-yl)phenyl]ethyl}-5-[2-(dimethylamino)ethoxy]-2-methylbenzamide
Y2N
Y2N
表記:5-[2-(dimethylamino)ethoxy]-2-methyl-N-{(1R)-1-[(3P,5M)-3-(1-methyl-1H-pyrazol-4-yl)-5-(1,3-thiazol-5-yl)phenyl]ethyl}benzamide
組成式:C27 H31 N5 O2 S
SMILES:CN(C)CCOc1cc(c(C)cc1)C(=O)NC(C)c1cc(cc(c1)c1cncs1)c1cn(C)nc1
InChi:InChI=1S/C27H31N5O2S/c1-18-6-7-24(34-9-8-31(3)4)13-25(18)27(33)30-19(2)20-10-21(23-14-29-32(5)16-23)12-22(11-20)26-15-28-17-35-26/h6-7,10-17,19H,8-9H2,1-5H3,(H,30,33)
定義日:2023-11-14
最終更新日:2024-03-29
公開日:2024-04-03
識別子（ID）:5-[2-(dimethylamino)ethoxy]-2-methyl-N-{(1R)-1-[(3P,5M)-3-(1-methyl-1H-pyrazol-4-yl)-5-(1,3-thiazol-5-yl)phenyl]ethyl}benzamide
Y2R
Y2R
表記:N-{(1R)-1-[(3P,5P)-3-[5-(aminomethyl)thiophen-2-yl]-5-(thiophen-2-yl)phenyl]ethyl}-5-[2-(dimethylamino)ethoxy]-2-methylbenzamide
組成式:C29 H33 N3 O2 S2
SMILES:NCc1ccc(s1)c1cc(cc(c1)c1cccs1)C(C)NC(=O)c1cc(OCCN(C)C)ccc1C
InChi:InChI=1S/C29H33N3O2S2/c1-19-7-8-24(34-12-11-32(3)4)17-26(19)29(33)31-20(2)21-14-22(27-6-5-13-35-27)16-23(15-21)28-10-9-25(18-30)36-28/h5-10,13-17,20H,11-12,18,30H2,1-4H3,(H,31,33)
定義日:2023-11-14
最終更新日:2024-03-29
公開日:2024-04-03
識別子（ID）:N-{(1R)-1-[(3P,5P)-3-[5-(aminomethyl)thiophen-2-yl]-5-(thiophen-2-yl)phenyl]ethyl}-5-[2-(dimethylamino)ethoxy]-2-methylbenzamide
Y3R
Y3R
表記:ethyl 4-oxo-4-(2-{3-[2-({(1S)-1-[(3P)-3-(thiophen-3-yl)phenyl]ethyl}carbamoyl)phenyl]propanoyl}hydrazinyl)butanoate
組成式:C28 H31 N3 O5 S
SMILES:O=C(OCC)CCC(=O)NNC(=O)CCc1ccccc1C(=O)NC(C)c1cccc(c1)c1ccsc1
InChi:InChI=1S/C28H31N3O5S/c1-3-36-27(34)14-13-26(33)31-30-25(32)12-11-20-7-4-5-10-24(20)28(35)29-19(2)21-8-6-9-22(17-21)23-15-16-37-18-23/h4-10,15-19H,3,11-14H2,1-2H3,(H,29,35)(H,30,32)(H,31,33)
定義日:2023-11-17
最終更新日:2024-03-29
公開日:2024-04-03
識別子（ID）:ethyl 4-oxo-4-(2-{3-[2-({(1S)-1-[(3P)-3-(thiophen-3-yl)phenyl]ethyl}carbamoyl)phenyl]propanoyl}hydrazinyl)butanoate
ZSF
ZSF
表記:adenosine 5'-heptaphosphate
組成式:C10 H20 N5 O25 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(n2cnc3c(N)ncnc32)C(O)C1O
InChi:InChI=1S/C10H20N5O25P7/c11-8-5-9(13-2-12-8)15(3-14-5)10-7(17)6(16)4(34-10)1-33-42(21,22)36-44(25,26)38-46(29,30)40-47(31,32)39-45(27,28)37-43(23,24)35-41(18,19)20/h2-4,6-7,10,16-17H,1H2,(H,21,22)(H,23,24)(H,25,26)(H,27,28)(H,29,30)(H,31,32)(H2,11,12,13)(H2,18,19,20)/t4-,6-,7-,10-/m1/s1
定義日:2023-03-28
最終更新日:2024-03-29
公開日:2024-04-03
識別子（ID）:5'-O-[(S)-hydroxy{[(R)-hydroxy{[(R)-hydroxy{[(S)-hydroxy{[(R)-hydroxy{[(R)-hydroxy(phosphonooxy)phosphoryl]oxy}phosphoryl]oxy}phosphoryl]oxy}phosphoryl]oxy}phosphoryl]oxy}phosphoryl]adenosine
XP6
XP6
表記:Norbaeocystin
組成式:C10 H13 N2 O4 P
SMILES:NCCc1c[nH]c2cccc(O[P](O)(O)=O)c12
InChi:InChI=1S/C10H13N2O4P/c11-5-4-7-6-12-8-2-1-3-9(10(7)8)16-17(13,14)15/h1-3,6,12H,4-5,11H2,(H2,13,14,15)
別名:[3-(2-azanylethyl)-1~{H}-indol-4-yl] dihydrogen phosphate
定義日:2023-06-08
最終更新日:2024-03-29
公開日:2024-04-03
識別子（ID）:[3-(2-azanylethyl)-1~{H}-indol-4-yl] dihydrogen phosphate
X8Q
X8Q
表記:[3-[2-(dimethylamino)ethyl]-1~{H}-indol-4-yl] dihydrogen phosphate
組成式:C12 H17 N2 O4 P
SMILES:CN(C)CCc1c[nH]c2cccc(O[P](O)(O)=O)c12
InChi:InChI=1S/C12H17N2O4P/c1-14(2)7-6-9-8-13-10-4-3-5-11(12(9)10)18-19(15,16)17/h3-5,8,13H,6-7H2,1-2H3,(H2,15,16,17)
定義日:2023-10-25
最終更新日:2024-03-29
公開日:2024-04-03
識別子（ID）:[3-[2-(dimethylamino)ethyl]-1~{H}-indol-4-yl] dihydrogen phosphate
WSP
WSP
表記:Spiroimine (-)-4 S
組成式:C13 H21 N O2
SMILES:CC1=NCCC[C]12CCCCC23OCCO3
InChi:InChI=1S/C13H21NO2/c1-11-12(6-4-8-14-11)5-2-3-7-13(12)15-9-10-16-13/h2-10H2,1H3/t12-/m0/s1
別名:(6~{S})-7-methyl-1,4-dioxa-8-azadispiro[4.0.5^{6}.4^{5}]pentadec-7-ene
定義日:2023-10-11
最終更新日:2024-03-29
公開日:2024-04-03
識別子（ID）:(6~{S})-7-methyl-1,4-dioxa-8-azadispiro[4.0.5^{6}.4^{5}]pentadec-7-ene
ZUS
ZUS
表記:2-[(2-oxo-2H-1-benzopyran-7-yl)oxy]-N-[(4-sulfamoylphenyl)methyl]acetamide
組成式:C18 H16 N2 O6 S
SMILES:NS(=O)(=O)c1ccc(cc1)CNC(=O)COc1ccc2C=CC(=O)Oc2c1
InChi:InChI=1S/C18H16N2O6S/c19-27(23,24)15-6-1-12(2-7-15)10-20-17(21)11-25-14-5-3-13-4-8-18(22)26-16(13)9-14/h1-9H,10-11H2,(H,20,21)(H2,19,23,24)
定義日:2023-04-04
最終更新日:2024-03-29
公開日:2024-04-03
識別子（ID）:2-[(2-oxo-2H-1-benzopyran-7-yl)oxy]-N-[(4-sulfamoylphenyl)methyl]acetamide
ZV7
ZV7
表記:2-chloro-N-(3-oxopropyl)acetohydrazide
組成式:C5 H9 Cl N2 O2
SMILES:ClCC(=O)N(N)CCC=O
InChi:InChI=1S/C5H9ClN2O2/c6-4-5(10)8(7)2-1-3-9/h3H,1-2,4,7H2
定義日:2023-04-06
最終更新日:2024-03-29
公開日:2024-04-03
識別子（ID）:2-chloro-N-(3-oxopropyl)acetohydrazide
XB5
XB5
表記:5-[2-(dimethylamino)ethoxy]-N-{(1R)-1-[(3M,5P)-3-(1-ethyl-1H-pyrazol-3-yl)-5-(1-methyl-1H-pyrazol-4-yl)phenyl]ethyl}-2-methylbenzamide
組成式:C29 H36 N6 O2
SMILES:CCn1ccc(n1)c1cc(cc(c1)c1cn(C)nc1)C(C)NC(=O)c1cc(OCCN(C)C)ccc1C
InChi:InChI=1S/C29H36N6O2/c1-7-35-11-10-28(32-35)24-15-22(14-23(16-24)25-18-30-34(6)19-25)21(3)31-29(36)27-17-26(9-8-20(27)2)37-13-12-33(4)5/h8-11,14-19,21H,7,12-13H2,1-6H3,(H,31,36)
定義日:2023-10-26
最終更新日:2024-03-29
公開日:2024-04-03
識別子（ID）:5-[2-(dimethylamino)ethoxy]-N-{(1R)-1-[(3M,5P)-3-(1-ethyl-1H-pyrazol-3-yl)-5-(1-methyl-1H-pyrazol-4-yl)phenyl]ethyl}-2-methylbenzamide
XCE
XCE
表記:~{N}-[(2~{S})-1-[[(1~{S})-1-(8~{a}~{H}-imidazo[1,2-a]pyrimidin-2-yl)ethyl]amino]-1-oxidanylidene-4-phenyl-butan-2-yl]-4,5-bis(chloranyl)-1~{H}-pyrrole-2-carboxamide
組成式:C23 H22 Cl2 N6 O2
SMILES:Clc1cc([NH]c1Cl)C(=O)NC(CCc1ccccc1)C(=O)NC(C)c1cn2cccnc2n1
InChi:InChI=1S/C23H22Cl2N6O2/c1-14(19-13-31-11-5-10-26-23(31)30-19)27-21(32)17(9-8-15-6-3-2-4-7-15)29-22(33)18-12-16(24)20(25)28-18/h2-7,10-14,17,28H,8-9H2,1H3,(H,27,32)(H,29,33)/t14-,17-/m0/s1
定義日:2023-10-30
最終更新日:2024-03-29
公開日:2024-04-03
識別子（ID）:4,5-dichloro-N-[(2S)-1-({(1S)-1-[(4S)-imidazo[1,2-a]pyrimidin-2-yl]ethyl}amino)-1-oxo-4-phenylbutan-2-yl]-1H-pyrrole-2-carboxamide
XCW
XCW
表記:4,5-dichloro-N-[(1S)-1-cyclohexyl-2-{[(3S)-5-methyl-4-oxo-2,3,4,5-tetrahydro-1,5-benzoxazepin-3-yl]amino}-2-oxoethyl]-1H-pyrrole-2-carboxamide
組成式:C23 H26 Cl2 N4 O4
SMILES:Clc1cc([NH]c1Cl)C(=O)NC(C1CCCCC1)C(=O)NC1COc2ccccc2N(C)C1=O
InChi:InChI=1S/C23H26Cl2N4O4/c1-29-17-9-5-6-10-18(17)33-12-16(23(29)32)27-22(31)19(13-7-3-2-4-8-13)28-21(30)15-11-14(24)20(25)26-15/h5-6,9-11,13,16,19,26H,2-4,7-8,12H2,1H3,(H,27,31)(H,28,30)/t16-,19-/m0/s1
定義日:2023-10-30
最終更新日:2024-03-29
公開日:2024-04-03
識別子（ID）:4,5-dichloro-N-[(1S)-1-cyclohexyl-2-{[(3S)-5-methyl-4-oxo-2,3,4,5-tetrahydro-1,5-benzoxazepin-3-yl]amino}-2-oxoethyl]-1H-pyrrole-2-carboxamide
WY0
WY0
表記:(5R)-5-ethyl-3-(6-spiro[2H-1-benzofuran-3,1'-cyclopropane]-4-yloxypyridin-3-yl)imidazolidine-2,4-dione
組成式:C20 H19 N3 O4
SMILES:CC[CH]1NC(=O)N(C1=O)c2ccc(Oc3cccc4OCC5(CC5)c34)nc2
InChi:InChI=1S/C20H19N3O4/c1-2-13-18(24)23(19(25)22-13)12-6-7-16(21-10-12)27-15-5-3-4-14-17(15)20(8-9-20)11-26-14/h3-7,10,13H,2,8-9,11H2,1H3,(H,22,25)/t13-/m1/s1
定義日:2023-10-17
最終更新日:2024-03-29
公開日:2024-04-03
識別子（ID）:(5~{R})-5-ethyl-3-(6-spiro[2~{H}-1-benzofuran-3,1'-cyclopropane]-4-yloxypyridin-3-yl)imidazolidine-2,4-dione
WY9
WY9
表記:(5R)-5-ethyl-3-[6-(3-methoxy-4-methyl-phenoxy)pyridin-3-yl]imidazolidine-2,4-dione
組成式:C18 H19 N3 O4
SMILES:CC[CH]1NC(=O)N(C1=O)c2ccc(Oc3ccc(C)c(OC)c3)nc2
InChi:InChI=1S/C18H19N3O4/c1-4-14-17(22)21(18(23)20-14)12-6-8-16(19-10-12)25-13-7-5-11(2)15(9-13)24-3/h5-10,14H,4H2,1-3H3,(H,20,23)/t14-/m1/s1
定義日:2023-10-17
最終更新日:2024-03-29
公開日:2024-04-03
識別子（ID）:(5~{R})-5-ethyl-3-[6-(3-methoxy-4-methyl-phenoxy)pyridin-3-yl]imidazolidine-2,4-dione
XWO
XWO
表記:N-{(1R)-1-[(3M,5P)-3,5-bis(1-methyl-1H-pyrazol-4-yl)phenyl]ethyl}-5-[2-(dimethylamino)ethoxy]-2-methylbenzamide
組成式:C28 H34 N6 O2
SMILES:Cn1cc(cn1)c1cc(cc(c1)c1cn(C)nc1)C(C)NC(=O)c1cc(OCCN(C)C)ccc1C
InChi:InChI=1S/C28H34N6O2/c1-19-7-8-26(36-10-9-32(3)4)14-27(19)28(35)31-20(2)21-11-22(24-15-29-33(5)17-24)13-23(12-21)25-16-30-34(6)18-25/h7-8,11-18,20H,9-10H2,1-6H3,(H,31,35)
定義日:2023-11-14
最終更新日:2024-03-29
公開日:2024-04-03
識別子（ID）:N-{(1R)-1-[(3M,5P)-3,5-bis(1-methyl-1H-pyrazol-4-yl)phenyl]ethyl}-5-[2-(dimethylamino)ethoxy]-2-methylbenzamide
YEE
YEE
表記:2-fluoranyl-6-methoxy-4-[4-methyl-5-[4-(4-propan-2-ylpiperazin-1-yl)phenyl]pyridin-3-yl]benzamide
組成式:C27 H31 F N4 O2
SMILES:COc1cc(cc(F)c1C(N)=O)c2cncc(c2C)c3ccc(cc3)N4CCN(CC4)C(C)C
InChi:InChI=1S/C27H31FN4O2/c1-17(2)31-9-11-32(12-10-31)21-7-5-19(6-8-21)22-15-30-16-23(18(22)3)20-13-24(28)26(27(29)33)25(14-20)34-4/h5-8,13-17H,9-12H2,1-4H3,(H2,29,33)
定義日:2023-12-03
最終更新日:2024-03-29
公開日:2024-04-03
識別子（ID）:2-fluoranyl-6-methoxy-4-[4-methyl-5-[4-(4-propan-2-ylpiperazin-1-yl)phenyl]pyridin-3-yl]benzamide
XXW
XXW
表記:N-[(1R)-1-{(3M,5M)-3-[1-(difluoromethyl)-1H-pyrazol-4-yl]-5-[1-(methoxymethyl)-1H-pyrazol-4-yl]phenyl}ethyl]-5-[2-(dimethylamino)ethoxy]-2-methylbenzamide
組成式:C29 H34 F2 N6 O3
SMILES:FC(F)n1cc(cn1)c1cc(cc(c1)c1cn(COC)nc1)C(C)NC(=O)c1cc(OCCN(C)C)ccc1C
InChi:InChI=1S/C29H34F2N6O3/c1-19-6-7-26(40-9-8-35(3)4)13-27(19)28(38)34-20(2)21-10-22(24-14-32-36(16-24)18-39-5)12-23(11-21)25-15-33-37(17-25)29(30)31/h6-7,10-17,20,29H,8-9,18H2,1-5H3,(H,34,38)
定義日:2023-11-14
最終更新日:2024-03-29
公開日:2024-04-03
識別子（ID）:N-[(1R)-1-{(3M,5M)-3-[1-(difluoromethyl)-1H-pyrazol-4-yl]-5-[1-(methoxymethyl)-1H-pyrazol-4-yl]phenyl}ethyl]-5-[2-(dimethylamino)ethoxy]-2-methylbenzamide
XYI
XYI
表記:5-[2-(dimethylamino)ethoxy]-2-methyl-N-[(1R)-1-{(3M,5P)-3-(1-methyl-1H-pyrazol-4-yl)-5-[1-(propan-2-yl)-1H-pyrazol-4-yl]phenyl}ethyl]benzamide
組成式:C30 H38 N6 O2
SMILES:CC(C)n1cc(cn1)c1cc(cc(c1)c1cn(C)nc1)C(C)NC(=O)c1cc(OCCN(C)C)ccc1C
InChi:InChI=1S/C30H38N6O2/c1-20(2)36-19-27(17-32-36)25-13-23(12-24(14-25)26-16-31-35(7)18-26)22(4)33-30(37)29-15-28(9-8-21(29)3)38-11-10-34(5)6/h8-9,12-20,22H,10-11H2,1-7H3,(H,33,37)
定義日:2023-11-14
最終更新日:2024-03-29
公開日:2024-04-03
識別子（ID）:5-[2-(dimethylamino)ethoxy]-2-methyl-N-[(1R)-1-{(3M,5P)-3-(1-methyl-1H-pyrazol-4-yl)-5-[1-(propan-2-yl)-1H-pyrazol-4-yl]phenyl}ethyl]benzamide
XYR
XYR
表記:N-{(1R)-1-[(3P,5M)-3-[1-(difluoromethyl)-1H-pyrazol-4-yl]-5-(1-methyl-1H-pyrazol-4-yl)phenyl]ethyl}-5-[2-(dimethylamino)ethoxy]-2-methylbenzamide
組成式:C28 H32 F2 N6 O2
SMILES:FC(F)n1cc(cn1)c1cc(cc(c1)c1cn(C)nc1)C(C)NC(=O)c1cc(OCCN(C)C)ccc1C
InChi:InChI=1S/C28H32F2N6O2/c1-18-6-7-25(38-9-8-34(3)4)13-26(18)27(37)33-19(2)20-10-21(23-14-31-35(5)16-23)12-22(11-20)24-15-32-36(17-24)28(29)30/h6-7,10-17,19,28H,8-9H2,1-5H3,(H,33,37)
定義日:2023-11-14
最終更新日:2024-03-29
公開日:2024-04-03
識別子（ID）:N-{(1R)-1-[(3P,5M)-3-[1-(difluoromethyl)-1H-pyrazol-4-yl]-5-(1-methyl-1H-pyrazol-4-yl)phenyl]ethyl}-5-[2-(dimethylamino)ethoxy]-2-methylbenzamide
WKE
WKE
表記:(2~{R})-~{N}-[(2~{R},3~{S},4~{S},5~{R},6~{R})-5-acetamido-2-methyl-4,6-bis(oxidanyl)oxan-3-yl]-2,3-bis(oxidanyl)propanamide
組成式:C11 H20 N2 O7
SMILES:C[CH]1O[CH](O)[CH](NC(C)=O)[CH](O)[CH]1NC(=O)[CH](O)CO
InChi:InChI=1S/C11H20N2O7/c1-4-7(13-10(18)6(16)3-14)9(17)8(11(19)20-4)12-5(2)15/h4,6-9,11,14,16-17,19H,3H2,1-2H3,(H,12,15)(H,13,18)/t4-,6-,7-,8-,9+,11-/m1/s1
定義日:2023-05-17
最終更新日:2024-03-29
公開日:2024-04-03
識別子（ID）:(2~{R})-~{N}-[(2~{R},3~{S},4~{S},5~{R},6~{R})-5-acetamido-2-methyl-4,6-bis(oxidanyl)oxan-3-yl]-2,3-bis(oxidanyl)propanamide
A1H2K
A1H2K
表記:7.10 monoacylglycerol (S-form)
組成式:C20 H38 O4
SMILES:CCCCCCCCCC=CCCCCCC(=O)OC[CH](O)CO
InChi:InChI=1S/C20H38O4/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-20(23)24-18-19(22)17-21/h10-11,19,21-22H,2-9,12-18H2,1H3/b11-10+/t19-/m0/s1
別名:[(2S)-2,3-bis(oxidanyl)propyl] (E)-heptadec-7-enoate
定義日:2024-01-19
最終更新日:2024-03-29
公開日:2024-04-03
識別子（ID）:[(2~{S})-2,3-bis(oxidanyl)propyl] (~{E})-heptadec-7-enoate

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件を2024-07-10に公開中

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