Loading
PDBj
English日本語简体中文繁體中文한국어
✖
ﾒﾆｭｰPDBj@FacebookPDBj@TwitterPDBj@YouTubewwPDB FoundationwwPDB
RCSB PDBPDBeBMRBAdv. SearchSearch help
UY9
UY9
表記:6-ethyl-4-[(5P)-7-[(1H-imidazol-1-yl)methyl]-5-[1-methyl-3-(trifluoromethyl)-1H-pyrazol-4-yl]-1-oxo-3,4-dihydroisoquinolin-2(1H)-yl]-N-methylquinoline-8-carboxamide
組成式:C31 H28 F3 N7 O2
SMILES:FC(F)(F)c1nn(C)cc1c1cc(Cn2ccnc2)cc2C(=O)N(CCc12)c1ccnc2c1cc(CC)cc2C(=O)NC
InChi:InChI=1S/C31H28F3N7O2/c1-4-18-11-23-26(5-7-37-27(23)24(12-18)29(42)35-2)41-9-6-20-21(25-16-39(3)38-28(25)31(32,33)34)13-19(14-22(20)30(41)43)15-40-10-8-36-17-40/h5,7-8,10-14,16-17H,4,6,9,15H2,1-3H3,(H,35,42)
定義日:2022-08-29
最終更新日:2023-01-06
公開日:2023-01-11
識別子（ID）:6-ethyl-4-[(5P)-7-[(1H-imidazol-1-yl)methyl]-5-[1-methyl-3-(trifluoromethyl)-1H-pyrazol-4-yl]-1-oxo-3,4-dihydroisoquinolin-2(1H)-yl]-N-methylquinoline-8-carboxamide
X8N
X8N
表記:(2S)-2-({(2S)-3-(3'-chloro[1,1'-biphenyl]-4-yl)-1-oxo-1-[(1H-tetrazol-5-yl)amino]propan-2-yl}oxy)propanoic acid
組成式:C19 H18 Cl N5 O4
SMILES:O=C(Nc1nnn[NH]1)C(Cc1ccc(cc1)c1cccc(Cl)c1)OC(C)C(=O)O
InChi:InChI=1S/C19H18ClN5O4/c1-11(18(27)28)29-16(17(26)21-19-22-24-25-23-19)9-12-5-7-13(8-6-12)14-3-2-4-15(20)10-14/h2-8,10-11,16H,9H2,1H3,(H,27,28)(H2,21,22,23,24,25,26)/t11-,16-/m0/s1
定義日:2022-11-07
最終更新日:2023-01-06
公開日:2023-01-11
識別子（ID）:(2S)-2-({(2S)-3-(3'-chloro[1,1'-biphenyl]-4-yl)-1-oxo-1-[(1H-tetrazol-5-yl)amino]propan-2-yl}oxy)propanoic acid
XEM
XEM
表記:1-nitrosopropane
組成式:C3 H7 N O
SMILES:CCCN=O
InChi:InChI=1S/C3H7NO/c1-2-3-4-5/h2-3H2,1H3
定義日:2020-12-14
最終更新日:2023-01-06
公開日:2023-01-11
識別子（ID）:1-nitrosopropane
Q0X
Q0X
表記:(Z)-3-[3,4-bis(oxidanyl)phenyl]-2-oxidanyl-1-[2,4,6-tris(oxidanyl)phenyl]prop-2-en-1-one
組成式:C15 H12 O7
SMILES:Oc1cc(O)c(c(O)c1)C(=O)C(O)=Cc2ccc(O)c(O)c2
InChi:InChI=1S/C15H12O7/c16-8-5-11(19)14(12(20)6-8)15(22)13(21)4-7-1-2-9(17)10(18)3-7/h1-6,16-21H/b13-4-
別名:taxifolin chalcone
定義日:2022-10-06
最終更新日:2022-12-31
公開日:2022-11-23
識別子（ID）:(~{Z})-3-[3,4-bis(oxidanyl)phenyl]-2-oxidanyl-1-[2,4,6-tris(oxidanyl)phenyl]prop-2-en-1-one
4IV
4IV
表記:2-[(3,5-dimethyl-1,2-oxazol-4-yl)methoxy]-~{N}-(2-methoxyphenyl)benzamide
組成式:C20 H20 N2 O4
SMILES:COc1ccccc1NC(=O)c2ccccc2OCc3c(C)onc3C
InChi:InChI=1S/C20H20N2O4/c1-13-16(14(2)26-22-13)12-25-18-10-6-4-8-15(18)20(23)21-17-9-5-7-11-19(17)24-3/h4-11H,12H2,1-3H3,(H,21,23)
定義日:2022-02-02
最終更新日:2022-12-30
公開日:2023-01-04
識別子（ID）:2-[(3,5-dimethyl-1,2-oxazol-4-yl)methoxy]-~{N}-(2-methoxyphenyl)benzamide
4R6
4R6
表記:~{N}-(3-chlorophenyl)-2-[(3,5-dimethyl-1,2-oxazol-4-yl)methoxy]benzamide
組成式:C19 H17 Cl N2 O3
SMILES:Cc1onc(C)c1COc2ccccc2C(=O)Nc3cccc(Cl)c3
InChi:InChI=1S/C19H17ClN2O3/c1-12-17(13(2)25-22-12)11-24-18-9-4-3-8-16(18)19(23)21-15-7-5-6-14(20)10-15/h3-10H,11H2,1-2H3,(H,21,23)
定義日:2022-02-02
最終更新日:2022-12-30
公開日:2023-01-04
識別子（ID）:~{N}-(3-chlorophenyl)-2-[(3,5-dimethyl-1,2-oxazol-4-yl)methoxy]benzamide
QDB
QDB
表記:4-benzoylbenzoic acid
組成式:C14 H10 O3
SMILES:OC(=O)c1ccc(cc1)C(=O)c1ccccc1
InChi:InChI=1S/C14H10O3/c15-13(10-4-2-1-3-5-10)11-6-8-12(9-7-11)14(16)17/h1-9H,(H,16,17)
定義日:2022-06-07
最終更新日:2022-12-30
公開日:2023-01-04
識別子（ID）:4-benzoylbenzoic acid
4ZI
4ZI
表記:2-[(3,5-dimethyl-1,2-oxazol-4-yl)methoxy]-~{N}-(3-methoxyphenyl)benzamide
組成式:C20 H20 N2 O4
SMILES:COc1cccc(NC(=O)c2ccccc2OCc3c(C)onc3C)c1
InChi:InChI=1S/C20H20N2O4/c1-13-18(14(2)26-22-13)12-25-19-10-5-4-9-17(19)20(23)21-15-7-6-8-16(11-15)24-3/h4-11H,12H2,1-3H3,(H,21,23)
定義日:2022-02-02
最終更新日:2022-12-30
公開日:2023-01-04
識別子（ID）:2-[(3,5-dimethyl-1,2-oxazol-4-yl)methoxy]-~{N}-(3-methoxyphenyl)benzamide
R4I
R4I
表記:(8~{S})-6-[2-(2,3-dihydroindol-1-yl)-2-oxidanylidene-ethyl]-4-(4-methylphenyl)-2-oxidanylidene-8-propyl-1,5,7,8-tetrahydro-1,6-naphthyridine-3-carbonitrile
組成式:C29 H30 N4 O2
SMILES:CCC[CH]1CN(CC(=O)N2CCc3ccccc23)CC4=C1NC(=O)C(=C4c5ccc(C)cc5)C#N
InChi:InChI=1S/C29H30N4O2/c1-3-6-22-16-32(18-26(34)33-14-13-20-7-4-5-8-25(20)33)17-24-27(21-11-9-19(2)10-12-21)23(15-30)29(35)31-28(22)24/h4-5,7-12,22H,3,6,13-14,16-18H2,1-2H3,(H,31,35)/t22-/m0/s1
定義日:2022-11-23
最終更新日:2022-12-29
公開日:2022-12-28
識別子（ID）:(8~{S})-6-[2-(2,3-dihydroindol-1-yl)-2-oxidanylidene-ethyl]-4-(4-methylphenyl)-2-oxidanylidene-8-propyl-1,5,7,8-tetrahydro-1,6-naphthyridine-3-carbonitrile
XYU
XYU
表記:(3S,5R,6R,7E,9R,10R,12R,14S,15E,17E,19E,21S,23S,26R,27R,30R,34aS)-5,9,27-trihydroxy-3-{(2R)-1-[(1S,3R,4R)-4-hydroxy-3-methoxycyclohexyl]propan-2-yl}-10,21-dimethoxy-6,8,12,14,20,26-hexamethyl-5,6,9,10,12,13,14,21,22,23,24,25,26,27,32,33,34,34a-octadecahydro-3H-23,27-epoxypyrido[2,1-c][1,4]oxazacyclohentriacontine-1,11,28,29(4H,31H)-tetrone
組成式:C51 H81 N O13
SMILES:OC1CCC(CC1OC)CC(C)C1OC(=O)C2CCCCN2C(=O)C(=O)C2(O)OC(CC(OC)C(C)=CC=CC=CC(C)CC(C)C(=O)C(OC)C(O)C(C)=CC(C)C(O)C1)CCC2C
InChi:InChI=1S/C51H81NO13/c1-30-16-12-11-13-17-31(2)42(61-8)28-38-21-19-36(7)51(60,65-38)48(57)49(58)52-23-15-14-18-39(52)50(59)64-43(33(4)26-37-20-22-40(53)44(27-37)62-9)29-41(54)32(3)25-35(6)46(56)47(63-10)45(55)34(5)24-30/h11-13,16-17,25,30,32-34,36-44,46-47,53-54,56,60H,14-15,18-24,26-29H2,1-10H3/b13-11+,16-12+,31-17+,35-25+/t30-,32-,33-,34-,36-,37+,38+,39+,40-,41-,42+,43+,44-,46-,47+,51-/m1/s1
定義日:2022-12-14
最終更新日:2022-12-23
公開日:2022-12-28
識別子（ID）:(3S,5R,6R,7E,9R,10R,12R,14S,15E,17E,19E,21S,23S,26R,27R,30R,34aS)-5,9,27-trihydroxy-3-{(2R)-1-[(1S,3R,4R)-4-hydroxy-3-methoxycyclohexyl]propan-2-yl}-10,21-dimethoxy-6,8,12,14,20,26-hexamethyl-5,6,9,10,12,13,14,21,22,23,24,25,26,27,32,33,34,34a-octadecahydro-3H-23,27-epoxypyrido[2,1-c][1,4]oxazacyclohentriacontine-1,11,28,29(4H,31H)-tetrone
XZ3
XZ3
表記:(3S,5R,6R,7E,9R,10R,12R,14S,15E,17E,19E,21S,23S,26R,27R,30R,34aS)-9,27-dihydroxy-3-{(2R)-1-[(1S,3R,4R)-4-hydroxy-3-methoxycyclohexyl]propan-2-yl}-5,10,21-trimethoxy-6,8,12,14,20,26-hexamethyl-5,6,9,10,12,13,14,21,22,23,24,25,26,27,32,33,34,34a-octadecahydro-3H-23,27-epoxypyrido[2,1-c][1,4]oxazacyclohentriacontine-1,11,28,29(4H,31H)-tetrone
組成式:C52 H83 N O13
SMILES:OC1CCC(CC1OC)CC(C)C1OC(=O)C2CCCCN2C(=O)C(=O)C2(O)OC(CC(OC)C(C)=CC=CC=CC(C)CC(C)C(=O)C(OC)C(O)C(C)=CC(C)C(OC)C1)CCC2C
InChi:InChI=1S/C52H83NO13/c1-31-17-13-12-14-18-32(2)42(61-8)29-39-22-20-37(7)52(60,66-39)49(57)50(58)53-24-16-15-19-40(53)51(59)65-44(34(4)27-38-21-23-41(54)45(28-38)63-10)30-43(62-9)33(3)26-36(6)47(56)48(64-11)46(55)35(5)25-31/h12-14,17-18,26,31,33-35,37-45,47-48,54,56,60H,15-16,19-25,27-30H2,1-11H3/b14-12+,17-13+,32-18+,36-26+/t31-,33-,34-,35-,37-,38+,39+,40+,41-,42+,43-,44+,45-,47-,48+,52-/m1/s1
定義日:2022-12-14
最終更新日:2022-12-23
公開日:2022-12-28
識別子（ID）:(3S,5R,6R,7E,9R,10R,12R,14S,15E,17E,19E,21S,23S,26R,27R,30R,34aS)-9,27-dihydroxy-3-{(2R)-1-[(1S,3R,4R)-4-hydroxy-3-methoxycyclohexyl]propan-2-yl}-5,10,21-trimethoxy-6,8,12,14,20,26-hexamethyl-5,6,9,10,12,13,14,21,22,23,24,25,26,27,32,33,34,34a-octadecahydro-3H-23,27-epoxypyrido[2,1-c][1,4]oxazacyclohentriacontine-1,11,28,29(4H,31H)-tetrone
XZ9
XZ9
表記:1-[6-{[(3M)-4-amino-3-(2-amino-1,3-benzoxazol-5-yl)-1H-pyrazolo[3,4-d]pyrimidin-1-yl]methyl}-3,4-dihydroisoquinolin-2(1H)-yl]-3-hydroxypropan-1-one
組成式:C25 H24 N8 O3
SMILES:OCCC(=O)N1Cc2ccc(cc2CC1)Cn1nc(c2cc3nc(N)oc3cc2)c2c(N)ncnc21
InChi:InChI=1S/C25H24N8O3/c26-23-21-22(16-3-4-19-18(10-16)30-25(27)36-19)31-33(24(21)29-13-28-23)11-14-1-2-17-12-32(20(35)6-8-34)7-5-15(17)9-14/h1-4,9-10,13,34H,5-8,11-12H2,(H2,27,30)(H2,26,28,29)
定義日:2022-12-14
最終更新日:2022-12-23
公開日:2022-12-28
識別子（ID）:1-[6-{[(3M)-4-amino-3-(2-amino-1,3-benzoxazol-5-yl)-1H-pyrazolo[3,4-d]pyrimidin-1-yl]methyl}-3,4-dihydroisoquinolin-2(1H)-yl]-3-hydroxypropan-1-one
IXJ
IXJ
表記:(2~{R})-6-[[(2~{S})-6-azanyl-2-[[(2~{S})-6-azanyl-2-(2-phenylethanoylamino)hexanoyl]amino]hexanoyl]amino]-2-carbamimidamido-hexanoic acid
組成式:C27 H46 N8 O5
SMILES:NCCCC[CH](NC(=O)[CH](CCCCN)NC(=O)Cc1ccccc1)C(=O)NCCCC[CH](NC(N)=N)C(O)=O
InChi:InChI=1S/C27H46N8O5/c28-15-7-4-12-20(24(37)32-17-9-6-14-22(26(39)40)35-27(30)31)34-25(38)21(13-5-8-16-29)33-23(36)18-19-10-2-1-3-11-19/h1-3,10-11,20-22H,4-9,12-18,28-29H2,(H,32,37)(H,33,36)(H,34,38)(H,39,40)(H4,30,31,35)/t20-,21-,22+/m0/s1
定義日:2022-04-20
最終更新日:2022-12-23
公開日:2022-12-28
識別子（ID）:(2~{R})-6-[[(2~{S})-6-azanyl-2-[[(2~{S})-6-azanyl-2-(2-phenylethanoylamino)hexanoyl]amino]hexanoyl]amino]-2-carbamimidamido-hexanoic acid
IXU
IXU
表記:(2~{S})-6-azanyl-~{N}-[(2~{S})-6-azanyl-1-(5-carbamimidamidopentylamino)-1-oxidanylidene-hexan-2-yl]-2-(propanoylamino)hexanamide
組成式:C21 H44 N8 O3
SMILES:CCC(=O)N[CH](CCCCN)C(=O)N[CH](CCCCN)C(=O)NCCCCCNC(N)=N
InChi:InChI=1S/C21H44N8O3/c1-2-18(30)28-17(11-5-7-13-23)20(32)29-16(10-4-6-12-22)19(31)26-14-8-3-9-15-27-21(24)25/h16-17H,2-15,22-23H2,1H3,(H,26,31)(H,28,30)(H,29,32)(H4,24,25,27)/t16-,17-/m0/s1
定義日:2022-04-20
最終更新日:2022-12-23
公開日:2022-12-28
識別子（ID）:(2~{S})-6-azanyl-~{N}-[(2~{S})-6-azanyl-1-(5-carbamimidamidopentylamino)-1-oxidanylidene-hexan-2-yl]-2-(propanoylamino)hexanamide
IY3
IY3
表記:(2~{S})-2-[2-[3-(aminomethyl)phenyl]ethanoylamino]-6-azanyl-~{N}-[(2~{S})-6-azanyl-1-[[(5~{R})-6-azanyl-5-carbamimidamido-6-oxidanylidene-hexyl]amino]-1-oxidanylidene-hexan-2-yl]hexanamide
組成式:C28 H50 N10 O4
SMILES:NCCCC[CH](NC(=O)Cc1cccc(CN)c1)C(=O)N[CH](CCCCN)C(=O)NCCCC[CH](NC(N)=N)C(N)=O
InChi:InChI=1S/C28H50N10O4/c29-13-4-1-11-22(26(41)35-15-6-3-10-21(25(32)40)38-28(33)34)37-27(42)23(12-2-5-14-30)36-24(39)17-19-8-7-9-20(16-19)18-31/h7-9,16,21-23H,1-6,10-15,17-18,29-31H2,(H2,32,40)(H,35,41)(H,36,39)(H,37,42)(H4,33,34,38)/t21-,22+,23+/m1/s1
定義日:2022-04-20
最終更新日:2022-12-23
公開日:2022-12-28
識別子（ID）:(2~{S})-2-[2-[3-(aminomethyl)phenyl]ethanoylamino]-6-azanyl-~{N}-[(2~{S})-6-azanyl-1-[[(5~{R})-6-azanyl-5-carbamimidamido-6-oxidanylidene-hexyl]amino]-1-oxidanylidene-hexan-2-yl]hexanamide
8R9
8R9
表記:[[(3R,4R,5S,6R)-3-acetamido-4,5-bis(oxidanyl)-6-(sulfooxymethyl)oxan-2-ylidene]amino] N-phenylcarbamate
組成式:C15 H19 N3 O10 S
SMILES:CC(=O)N[CH]1[CH](O)[CH](O)[CH](CO[S](O)(=O)=O)OC1=NOC(=O)Nc2ccccc2
InChi:InChI=1S/C15H19N3O10S/c1-8(19)16-11-13(21)12(20)10(7-26-29(23,24)25)27-14(11)18-28-15(22)17-9-5-3-2-4-6-9/h2-6,10-13,20-21H,7H2,1H3,(H,16,19)(H,17,22)(H,23,24,25)/t10-,11-,12-,13-/m1/s1
定義日:2021-12-24
最終更新日:2022-12-23
公開日:2022-12-28
識別子（ID）:[[(3~{R},4~{R},5~{S},6~{R})-3-acetamido-4,5-bis(oxidanyl)-6-(sulfooxymethyl)oxan-2-ylidene]amino] ~{N}-phenylcarbamate
AQR
AQR
表記:(2R,4aS,6aS,12bR,14aS,14bR)-10-hydroxy-2,4a,6a,9,12b,14a-hexamethyl-11-oxo-1,2,3,4,4a,5,6,6a,11,12b,13,14,14a,14b-tetradecahydropicene-2-carboxylic acid
組成式:C29 H38 O4
SMILES:C1=C2C(C(C)=C(C1=O)O)=CC=C3C4(C(CCC23C)(C5C(CC4)(CCC(C5)(C(=O)O)C)C)C)C
InChi:InChI=1S/C29H38O4/c1-17-18-7-8-21-27(4,19(18)15-20(30)23(17)31)12-14-29(6)22-16-26(3,24(32)33)10-9-25(22,2)11-13-28(21,29)5/h7-8,15,22,31H,9-14,16H2,1-6H3,(H,32,33)/t22-,25-,26-,27+,28-,29+/m1/s1
定義日:2018-11-20
最終更新日:2022-12-23
公開日:2022-12-28
識別子（ID）:(2R,4aS,6aS,12bR,14aS,14bR)-10-hydroxy-2,4a,6a,9,12b,14a-hexamethyl-11-oxo-1,2,3,4,4a,5,6,6a,11,12b,13,14,14a,14b-tetradecahydropicene-2-carboxylic acid
I6K
I6K
表記:2,4,6-tris (2-pyrimidyl)-1,3,5-triazine gold(III) complex
組成式:C15 H9 Au Cl N9
SMILES:Cl[Au-]12[n+]3cccnc3c4nc(nc(c5nccc[n+]15)[n+]24)c6ncccn6
InChi:InChI=1S/C15H9N9.Au.ClH/c1-4-16-10(17-5-1)13-22-14(11-18-6-2-7-19-11)24-15(23-13)12-20-8-3-9-21-12
定義日:2022-02-15
最終更新日:2022-12-23
公開日:2022-12-28
K6I
K6I
表記:~{N}-(2-fluorophenyl)-2-[3-(3-methylbutyl)-4-oxidanylidene-pteridin-2-yl]sulfanyl-ethanamide
組成式:C19 H20 F N5 O2 S
SMILES:CC(C)CCN1C(=O)c2nccnc2N=C1SCC(=O)Nc3ccccc3F
InChi:InChI=1S/C19H20FN5O2S/c1-12(2)7-10-25-18(27)16-17(22-9-8-21-16)24-19(25)28-11-15(26)23-14-6-4-3-5-13(14)20/h3-6,8-9,12H,7,10-11H2,1-2H3,(H,23,26)
定義日:2022-05-19
最終更新日:2022-12-23
公開日:2022-11-16
識別子（ID）:~{N}-(2-fluorophenyl)-2-[3-(3-methylbutyl)-4-oxidanylidene-pteridin-2-yl]sulfanyl-ethanamide
K8R
K8R
表記:~{N}-(3-morpholin-4-ylpropyl)-2-(naphthalen-1-ylamino)-1,3-thiazole-4-carboxamide
組成式:C21 H24 N4 O2 S
SMILES:O=C(NCCCN1CCOCC1)c2csc(Nc3cccc4ccccc34)n2
InChi:InChI=1S/C21H24N4O2S/c26-20(22-9-4-10-25-11-13-27-14-12-25)19-15-28-21(24-19)23-18-8-3-6-16-5-1-2-7-17(16)18/h1-3,5-8,15H,4,9-14H2,(H,22,26)(H,23,24)
定義日:2022-05-19
最終更新日:2022-12-23
公開日:2022-11-16
識別子（ID）:~{N}-(3-morpholin-4-ylpropyl)-2-(naphthalen-1-ylamino)-1,3-thiazole-4-carboxamide
KA0
KA0
表記:6-[1,3-benzodioxol-5-ylmethyl(methyl)amino]-1-~{tert}-butyl-5~{H}-pyrazolo[3,4-d]pyrimidin-4-one
組成式:C18 H21 N5 O3
SMILES:CN(Cc1ccc2OCOc2c1)C3=Nc4n(ncc4C(=O)N3)C(C)(C)C
InChi:InChI=1S/C18H21N5O3/c1-18(2,3)23-15-12(8-19-23)16(24)21-17(20-15)22(4)9-11-5-6-13-14(7-11)26-10-25-13/h5-8H,9-10H2,1-4H3,(H,20,21,24)
定義日:2022-05-23
最終更新日:2022-12-23
公開日:2022-11-16
識別子（ID）:6-[1,3-benzodioxol-5-ylmethyl(methyl)amino]-1-~{tert}-butyl-5~{H}-pyrazolo[3,4-d]pyrimidin-4-one
84Q
84Q
表記:[(2S)-2-[2-azanylethoxy(oxidanyl)phosphoryl]oxy-2-(13-methyltetradecanoyloxy)ethyl] 13-methyltetradecanoate
組成式:C34 H68 N O8 P
SMILES:CC(C)CCCCCCCCCCCC(=O)OC[CH](OC(=O)CCCCCCCCCCCC(C)C)O[P](O)(=O)OCCN
InChi:InChI=1S/C34H68NO8P/c1-30(2)23-19-15-11-7-5-9-13-17-21-25-32(36)40-29-34(43-44(38,39)41-28-27-35)42-33(37)26-22-18-14-10-6-8-12-16-20-24-31(3)4/h30-31,34H,5-29,35H2,1-4H3,(H,38,39)/t34-/m0/s1
別名:1,2-dimyristoyl-sn-glycero-3-phosphoethanolamine
定義日:2021-11-25
最終更新日:2022-12-23
公開日:2022-12-28
識別子（ID）:[(2~{S})-2-[2-azanylethoxy(oxidanyl)phosphoryl]oxy-2-(13-methyltetradecanoyloxy)ethyl] 13-methyltetradecanoate
85I
85I
表記:[(2~{R})-2-[2-(methylamino)ethoxy-oxidanyl-phosphoryl]oxy-2-(13-methyltetradecanoyloxy)ethyl] 13-methyltetradecanoate
組成式:C35 H70 N O8 P
SMILES:CNCCO[P](O)(=O)O[CH](COC(=O)CCCCCCCCCCCC(C)C)OC(=O)CCCCCCCCCCCC(C)C
InChi:InChI=1S/C35H70NO8P/c1-31(2)24-20-16-12-8-6-10-14-18-22-26-33(37)41-30-35(44-45(39,40)42-29-28-36-5)43-34(38)27-23-19-15-11-7-9-13-17-21-25-32(3)4/h31-32,35-36H,6-30H2,1-5H3,(H,39,40)/t35-/m1/s1
定義日:2021-11-25
最終更新日:2022-12-23
公開日:2022-12-28
識別子（ID）:[(2~{R})-2-[2-(methylamino)ethoxy-oxidanyl-phosphoryl]oxy-2-(13-methyltetradecanoyloxy)ethyl] 13-methyltetradecanoate
85N
85N
表記:[(2~{S})-2-[[(1~{R})-1,2-bis(13-methyltetradecanoyloxy)ethoxy]methyl]-3-oxidanyl-3-oxidanylidene-propyl]-trimethyl-azanium
組成式:C39 H76 N O7
SMILES:CC(C)CCCCCCCCCCCC(=O)OC[CH](OC[CH](C[N+](C)(C)C)C(O)=O)OC(=O)CCCCCCCCCCCC(C)C
InChi:InChI=1S/C39H75NO7/c1-33(2)26-22-18-14-10-8-12-16-20-24-28-36(41)45-32-38(46-31-35(39(43)44)30-40(5,6)7)47-37(42)29-25-21-17-13-9-11-15-19-23-27-34(3)4/h33-35,38H,8-32H2,1-7H3/p+1/t35-,38+/m0/s1
定義日:2021-11-25
最終更新日:2022-12-23
公開日:2022-12-28
識別子（ID）:[(2~{S})-2-[[(1~{R})-1,2-bis(13-methyltetradecanoyloxy)ethoxy]methyl]-3-oxidanyl-3-oxidanylidene-propyl]-trimethyl-azanium
KRN
KRN
表記:(4R)-4-hydroxy-4-(2-hydroxyphenyl)butanoic acid
組成式:C10 H12 O4
SMILES:C(C(O)=O)CC(c1c(cccc1)O)O
InChi:InChI=1S/C10H12O4/c11-8-4-2-1-3-7(8)9(12)5-6-10(13)14/h1-4,9,11-12H,5-6H2,(H,13,14)/t9-/m1/s1
定義日:2017-05-29
最終更新日:2022-12-23
公開日:2022-12-28
識別子（ID）:(4R)-4-hydroxy-4-(2-hydroxyphenyl)butanoic acid

222926

件を2024-07-24に公開中

PDB statisticsPDBj update infoContact PDBjnumon