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
SWH
SWH
表記:{4-[(4-{(Z)-[3-(4-FLUOROBENZYL)-2,4-DIOXO-1,3-THIAZOLIDIN-5-YLIDENE]METHYL}PHENOXY)METHYL]PHENYL}(TRIHYDROXY)BORATE(1-)
組成式:C24 H20 B F N O6 S
SMILES:O=C1S/C(C(=O)N1Cc2ccc(F)cc2)=Cc4ccc(OCc3ccc(cc3)[B-](O)(O)O)cc4
InChi:InChI=1S/C24H20BFNO6S/c26-20-9-3-17(4-10-20)14-27-23(28)22(34-24(27)29)13-16-5-11-21(12-6-16)33-15-18-1-7-19(8-2-18)25(30,31)32/h1-13,30-32H,14-15H2/q-1/b22-13-
別名:HA155 INHIBITOR
定義日:2010-09-14
最終更新日:2021-03-01
識別子（ID）:{4-[(4-{(Z)-[3-(4-fluorobenzyl)-2,4-dioxo-1,3-thiazolidin-5-ylidene]methyl}phenoxy)methyl]phenyl}(trihydroxy)borate(1-)
G90
G90
表記:2-[(2S)-3-[[1-(1H-indol-3-yl)-2-methyl-propan-2-yl]amino]-2-oxidanyl-propoxy]benzenecarbonitrile
組成式:C22 H25 N3 O2
SMILES:N#Cc3ccccc3OCC(O)CNC(C)(C)Cc2c1ccccc1nc2
InChi:InChI=1S/C22H25N3O2/c1-22(2,11-17-13-24-20-9-5-4-8-19(17)20)25-14-18(26)15-27-21-10-6-3-7-16(21)12-23/h3-10,13,18,24-26H,11,14-15H2,1-2H3/t18-/m0/s1
別名:BUCINDOLOL
定義日:2012-03-11
最終更新日:2021-03-01
識別子（ID）:2-{[(2S)-2-hydroxy-3-{[1-(1H-indol-3-yl)-2-methylpropan-2-yl]amino}propyl]oxy}benzonitrile
SY2
SY2
表記:N-{[(1S)-2-methyl-1-{[(5S,8S)-5-(1-methylethyl)-2,7-dioxo-1,6-diazacyclododec-3-en-8-yl]carbamoyl}propyl]carbamoyl}-L-valine
組成式:C24 H41 N5 O6
SMILES:O=C(O)C(NC(=O)NC(C(=O)NC1C(=O)NC(C=CC(=O)NCCCC1)C(C)C)C(C)C)C(C)C
InChi:InChI=1S/C24H41N5O6/c1-13(2)16-10-11-18(30)25-12-8-7-9-17(21(31)26-16)27-22(32)19(14(3)4)28-24(35)29-20(15(5)6)23(33)34/h10-11,13-17,19-20H,7-9,12H2,1-6H3,(H,25,30)(H,26,31)(H,27,32)(H,33,34)(H2,28,29,35)/t16-,17+,19+,20+/m1/s1
別名:Syringolin B
定義日:2009-03-30
最終更新日:2021-03-01
識別子（ID）:N-{[(1S)-2-methyl-1-{[(3E,5S,8S)-5-(1-methylethyl)-2,7-dioxo-1,6-diazacyclododec-3-en-8-yl]carbamoyl}propyl]carbamoyl}-L-valine
GAH
GAH
表記:N-{[(2S)-1-(N-{[4-({[AMINO(IMINO)METHYL]AMINO}METHYL)CYCLOHEXYL]CARBONYL}-3-CYCLOHEXYL-L-ALANYL)AZETIDIN-2-YL]CARBONYL}-L-TYROSYL-N~6~-[AMINO(IMINO)METHYL]-L-LYSINAMIDE
組成式:C38 H61 N11 O6
SMILES:O=C(NC(C(=O)NC(C(=O)N)CCCCNC(=[N@H])N)Cc1ccc(O)cc1)C4N(C(=O)C(NC(=O)C2CCC(CNC(=[N@H])N)CC2)CC3CCCCC3)CC4
InChi:InChI=1S/C38H61N11O6/c39-32(51)28(8-4-5-18-44-37(40)41)46-34(53)29(20-24-11-15-27(50)16-12-24)47-35(54)31-17-19-49(31)36(55)30(21-23-6-2-1-3-7-23)48-33(52)26-13-9-25(10-14-26)22-45-38(42)43/h11-12,15-16,23,25-26,28-31,50H,1-10,13-14,17-22H2,(H2,39,51)(H,46,53)(H,47,54)(H,48,52)(H4,40,41,44)(H4,42,43,45)/t25-,26+,28-,29+,30+,31-/m0/s1
別名:TRANS-4-(GUANIDINOMETHYL)-CYCLOHEXANE-L-YL-D-3-CYCLOHEXYLALANYL-L-AZETIDINE-2-YL-D-TYROSINYL-L-HOMOARGININAMIDE
定義日:2004-10-14
最終更新日:2021-03-01
識別子（ID）:N-{[(2S)-1-(N-{[cis-4-(carbamimidamidomethyl)cyclohexyl]carbonyl}-3-cyclohexyl-D-alanyl)azetidin-2-yl]carbonyl}-D-tyrosyl-N~6~-carbamimidoyl-L-lysinamide
GBJ
GBJ
表記:4-[(3R)-8,8-dimethyl-3,4-dihydro-2H,8H-pyrano[2,3-f]chromen-3-yl]benzene-1,3-diol
組成式:C20 H20 O4
SMILES:O4c2c1C=CC(Oc1ccc2CC(c3ccc(O)cc3O)C4)(C)C
InChi:InChI=1S/C20H20O4/c1-20(2)8-7-16-18(24-20)6-3-12-9-13(11-23-19(12)16)15-5-4-14(21)10-17(15)22/h3-8,10,13,21-22H,9,11H2,1-2H3/t13-/m0/s1
別名:glabridin
定義日:2013-10-24
最終更新日:2021-03-01
公開日:2014-02-19
識別子（ID）:4-[(3R)-8,8-dimethyl-3,4-dihydro-2H,8H-pyrano[2,3-f]chromen-3-yl]benzene-1,3-diol
GBO
GBO
表記:(2E,6E)-3,7-dimethyl-8-({5-[(3aS,4S,6aR)-2-oxohexahydro-1H-thieno[3,4-d]imidazol-4-yl]pentanoyl}amino)octa-2,6-dien-1-yl trihydrogen diphosphate
組成式:C20 H35 N3 O9 P2 S
SMILES:O=C1NC2C(SCC2N1)CCCCC(=O)NCC(=C/CCC(=C/COP(=O)(O)OP(=O)(O)O)/C)/C
InChi:InChI=1S/C20H35N3O9P2S/c1-14(10-11-31-34(29,30)32-33(26,27)28)6-5-7-15(2)12-21-18(24)9-4-3-8-17-19-16(13-35-17)22-20(25)23-19/h7,10,16-17,19H,3-6,8-9,11-13H2,1-2H3,(H,21,24)(H,29,30)(H2,22,23,25)(H2,26,27,28)/b14-10+,15-7+/t16-,17-,19-/m0/s1
別名:Biotin-GPP
定義日:2008-10-15
最終更新日:2021-03-01
識別子（ID）:(2E,6E)-3,7-dimethyl-8-({5-[(3aS,4S,6aR)-2-oxohexahydro-1H-thieno[3,4-d]imidazol-4-yl]pentanoyl}amino)octa-2,6-dien-1-yl trihydrogen diphosphate
GBX
GBX
表記:2-AMINO-4-[1-(CARBOXYMETHYL-CARBAMOYL)-2-(9-HYDROXY-7,8-DIOXO-7,8,9,10-TETRAHYDRO-BENZO[DEF]CHRYSEN-10-YLSULFANYL)-ETHYLCARBAMOYL]-BUTYRIC ACID
組成式:C30 H27 N3 O9 S
SMILES:O=C(O)C(N)CCC(=O)NC(C(=O)NCC(=O)O)CSC3c2c1ccc5c4c1c(cc2C(=O)C(=O)C3O)ccc4ccc5
InChi:InChI=1S/C30H27N3O9S/c31-18(30(41)42)8-9-20(34)33-19(29(40)32-11-21(35)36)12-43-28-24-16-7-6-14-3-1-2-13-4-5-15(23(16)22(13)14)10-17(24)25(37)26(38)27(28)39/h1-7,10,18-19,27-28,39H,8-9,11-12,31H2,(H,32,40)(H,33,34)(H,35,36)(H,41,42)/t18-,19-,27-,28-/m0/s1
別名:GLUTATHIONE CONJUGATE OF (+)-ANTI-BPDE
定義日:1999-07-08
最終更新日:2021-03-01
識別子（ID）:L-gamma-glutamyl-S-[(9S,10S)-9-hydroxy-7,8-dioxo-7,8,9,10-tetrahydrobenzo[pqr]tetraphen-10-yl]-L-cysteinylglycine
GCA
GCA
表記:6-(3',5'-DIMETHYLBENZYL)-1-ETHOXYMETHYL-5-ISOPROPYLURACIL
組成式:C19 H26 N2 O3
SMILES:O=C1C(=C(N(C(=O)N1)COCC)Cc2cc(cc(c2)C)C)C(C)C
InChi:InChI=1S/C19H26N2O3/c1-6-24-11-21-16(10-15-8-13(4)7-14(5)9-15)17(12(2)3)18(22)20-19(21)23/h7-9,12H,6,10-11H2,1-5H3,(H,20,22,23)
別名:GCA-186
定義日:1999-07-26
最終更新日:2021-03-01
識別子（ID）:6-(3,5-dimethylbenzyl)-1-(ethoxymethyl)-5-(1-methylethyl)pyrimidine-2,4(1H,3H)-dione
GCZ
GCZ
表記:N-[(3aR,6aS)-hexahydrocyclopenta[c]pyrrol-2(1H)-ylcarbamoyl]-4-methylbenzenesulfonamide
組成式:C15 H21 N3 O3 S
SMILES:O=C(NN2CC1CCCC1C2)NS(=O)(=O)c3ccc(cc3)C
InChi:InChI=1S/C15H21N3O3S/c1-11-5-7-14(8-6-11)22(20,21)17-15(19)16-18-9-12-3-2-4-13(12)10-18/h5-8,12-13H,2-4,9-10H2,1H3,(H2,16,17,19)/t12-,13+
別名:gliclazide
定義日:2015-04-30
最終更新日:2021-03-01
公開日:2015-11-25
識別子（ID）:N-[(3aR,6aS)-hexahydrocyclopenta[c]pyrrol-2(1H)-ylcarbamoyl]-4-methylbenzenesulfonamide
GD4
GD4
表記:(5S)-5-[(4-{[(2R)-6-hydroxy-2,5,7,8-tetramethyl-3,4-dihydro-2H-1-benzopyran-2-yl]methoxy}phenyl)methyl]-1,3-thiazolidine-2,4-dione
組成式:C24 H27 N O5 S
SMILES:C1C(Oc2c(C1)c(C)c(O)c(c2C)C)(COc3ccc(cc3)CC4SC(NC4=O)=O)C
InChi:InChI=1S/C24H27NO5S/c1-13-14(2)21-18(15(3)20(13)26)9-10-24(4,30-21)12-29-17-7-5-16(6-8-17)11-19-22(27)25-23(28)31-19/h5-8,19,26H,9-12H2,1-4H3,(H,25,27,28)/t19-,24+/m0/s1
別名:Troglitazone (isoform)
定義日:2018-05-18
最終更新日:2021-03-01
公開日:2019-05-22
識別子（ID）:(5S)-5-[(4-{[(2R)-6-hydroxy-2,5,7,8-tetramethyl-3,4-dihydro-2H-1-benzopyran-2-yl]methoxy}phenyl)methyl]-1,3-thiazolidine-2,4-dione
T22
T22
表記:2-({6-[(3R)-3-aminopiperidin-1-yl]-3-methyl-2,4-dioxo-3,4-dihydropyrimidin-1(2H)-yl}methyl)benzonitrile
組成式:C18 H21 N5 O2
SMILES:N#Cc1ccccc1CN2C(=O)N(C(=O)C=C2N3CCCC(N)C3)C
InChi:InChI=1S/C18H21N5O2/c1-21-17(24)9-16(22-8-4-7-15(20)12-22)23(18(21)25)11-14-6-3-2-5-13(14)10-19/h2-3,5-6,9,15H,4,7-8,11-12,20H2,1H3/t15-/m1/s1
別名:Alogliptin
定義日:2009-02-03
最終更新日:2021-03-01
識別子（ID）:2-({6-[(3R)-3-aminopiperidin-1-yl]-3-methyl-2,4-dioxo-3,4-dihydropyrimidin-1(2H)-yl}methyl)benzonitrile
GDU
GDU
表記:GALACTOSE-URIDINE-5'-DIPHOSPHATE
組成式:C15 H24 N2 O17 P2
SMILES:O=P(OC1OC(C(O)C(O)C1O)CO)(O)OP(=O)(O)OCC3OC(N2C=CC(=O)NC2=O)C(O)C3O
InChi:InChI=1S/C15H24N2O17P2/c18-3-5-8(20)10(22)12(24)14(32-5)33-36(28,29)34-35(26,27)30-4-6-9(21)11(23)13(31-6)17-2-1-7(19)16-15(17)25/h1-2,5-6,8-14,18,20-24H,3-4H2,(H,26,27)(H,28,29)(H,16,19,25)/t5-,6-,8+,9-,10+,11-,12-,13-,14-/m1/s1
別名:UDP-D-GALACTOPYRANOSE
定義日:1999-07-08
最終更新日:2021-03-01
識別子（ID）:[(2R,3S,4R,5R)-5-(2,4-dioxo-3,4-dihydropyrimidin-1(2H)-yl)-3,4-dihydroxytetrahydrofuran-2-yl]methyl (2R,3R,4S,5R,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)tetrahydro-2H-pyran-2-yl dihydrogen diphosphate (non-preferred name)
GDZ
GDZ
表記:2-(8-fluoranyl-2-methyl-imidazo[1,2-a]pyridin-6-yl)-7-(4-methylpiperazin-1-yl)pyrido[1,2-a]pyrimidin-4-one
組成式:C21 H21 F N6 O
SMILES:CN1CCN(CC1)C2=CN3C(=O)C=C(N=C3C=C2)c4cn5cc(C)nc5c(F)c4
InChi:InChI=1S/C21H21FN6O/c1-14-11-27-12-15(9-17(22)21(27)23-14)18-10-20(29)28-13-16(3-4-19(28)24-18)26-7-5-25(2)6-8-26/h3-4,9-13H,5-8H2,1-2H3
別名:SMN-C5
定義日:2018-09-12
最終更新日:2021-03-01
公開日:2019-08-14
識別子（ID）:2-(8-fluoranyl-2-methyl-imidazo[1,2-a]pyridin-6-yl)-7-(4-methylpiperazin-1-yl)pyrido[1,2-a]pyrimidin-4-one
GEQ
GEQ
表記:5-{[4-(9H-FLUOREN-9-YL)PIPERAZIN-1-YL]CARBONYL}-1H-INDOLE
組成式:C26 H23 N3 O
SMILES:O=C(N4CCN(C3c1c(cccc1)c2ccccc23)CC4)c6ccc5nccc5c6
InChi:InChI=1S/C26H23N3O/c30-26(19-9-10-24-18(17-19)11-12-27-24)29-15-13-28(14-16-29)25-22-7-3-1-5-20(22)21-6-2-4-8-23(21)25/h1-12,17,25,27H,13-16H2
別名:GENZ-10850
定義日:2003-08-30
最終更新日:2021-03-01
識別子（ID）:5-{[4-(9H-fluoren-9-yl)piperazin-1-yl]carbonyl}-1H-indole
GET
GET
表記:GENETICIN
組成式:C20 H40 N4 O10
SMILES:O(C2C(O)C(OC1OC(C(O)C)C(O)C(O)C1N)C(N)CC2N)C3OCC(O)(C(NC)C3O)C
InChi:InChI=1S/C20H40N4O10/c1-6(25)14-11(27)10(26)9(23)18(32-14)33-15-7(21)4-8(22)16(12(15)28)34-19-13(29)17(24-3)20(2,30)5-31-19/h6-19,24-30H,4-5,21-23H2,1-3H3/t6-,7+,8-,9-,10-,11+,12+,13-,14-,15-,16+,17-,18-,19-,20+/m1/s1
別名:G418
定義日:2002-10-02
最終更新日:2021-03-01
識別子（ID）:(1R,2S,3S,4R,6S)-4,6-diamino-3-{[3-deoxy-4-C-methyl-3-(methylamino)-beta-L-arabinopyranosyl]oxy}-2-hydroxycyclohexyl 2-amino-2,7-dideoxy-D-glycero-alpha-D-gluco-heptopyranoside
GFL
GFL
表記:2-AMINO-9-(2-DEOXY-2-FLUORO-5-O-PHOSPHONO-BETA-D-ARABINOFURANOSYL)-1,9-DIHYDRO-6H-PURIN-6-ONE
組成式:C10 H13 F N5 O7 P
SMILES:O=C1c2ncn(c2N=C(N)N1)C3OC(C(O)C3F)COP(=O)(O)O
InChi:InChI=1S/C10H13FN5O7P/c11-4-6(17)3(1-22-24(19,20)21)23-9(4)16-2-13-5-7(16)14-10(12)15-8(5)18/h2-4,6,9,17H,1H2,(H2,19,20,21)(H3,12,14,15,18)/t3-,4+,6-,9-/m1/s1
別名:2'-FLUORO-2-DEOXY-GUANOSINE-5'-MONOPHOSPHATE
定義日:2006-09-07
最終更新日:2021-03-01
識別子（ID）:2-amino-9-(2-deoxy-2-fluoro-5-O-phosphono-beta-D-arabinofuranosyl)-1,9-dihydro-6H-purin-6-one
GFT
GFT
表記:(2S)-2-azanyl-3-[cyclohexyloxy(methyl)phosphoryl]oxy-propanoic acid
組成式:C10 H20 N O5 P
SMILES:O=C(O)C(N)COP(=O)(OC1CCCCC1)C
InChi:InChI=1S/C10H20NO5P/c1-17(14,15-7-9(11)10(12)13)16-8-5-3-2-4-6-8/h8-9H,2-7,11H2,1H3,(H,12,13)/t9-,17-/m0/s1
別名:Cyclosarin bound Serine
定義日:2013-02-04
最終更新日:2021-03-01
公開日:2013-03-27
識別子（ID）:O-[(S)-(cyclohexyloxy)(methyl)phosphoryl]-L-serine
C2G
C2G
表記:[CYTIDINE-5'-PHOSPHATE] GLYCERYLPHOSPHORIC ACID ESTER
組成式:C12 H21 N3 O13 P2
SMILES:O=P(O)(OCC(O)CO)OP(=O)(O)OCC2OC(N1C(=O)N=C(N)C=C1)C(O)C2O
InChi:InChI=1S/C12H21N3O13P2/c13-8-1-2-15(12(20)14-8)11-10(19)9(18)7(27-11)5-26-30(23,24)28-29(21,22)25-4-6(17)3-16/h1-2,6-7,9-11,16-19H,3-5H2,(H,21,22)(H,23,24)(H2,13,14,20)/t6-,7+,9+,10+,11+/m0/s1
別名:CYTIDINE 5'-DIPHOSPHOGLYCEROL
定義日:2002-10-29
最終更新日:2021-03-01
識別子（ID）:5'-O-[(S)-{[(R)-{[(2S)-2,3-dihydroxypropyl]oxy}(hydroxy)phosphoryl]oxy}(hydroxy)phosphoryl]cytidine
T5C
T5C
表記:2-{(1E,3Z,5E,7E)-7-[3,3-DIMETHYL-5-SULFO-1-(2-SULFOETHYL)-1,3-DIHYDRO-2H-INDOL-2-YLIDENE]-4-METHYLHEPTA-1,3,5-TRIEN-1-YL}-3,3-DIMETHYL-5-SULFO-1-(2-SULFOETHYL)-3H-INDOLIUM
組成式:C32 H39 N2 O12 S4
SMILES:O=S(=O)(O)CC[N+]=2c1ccc(cc1C(C=2C=CC=C(C=CC=C4N(c3ccc(cc3C4(C)C)S(=O)(=O)O)CCS(=O)(=O)O)C)(C)C)S(=O)(=O)O
InChi:InChI=1S/C32H38N2O12S4/c1-22(8-6-10-29-31(2,3)25-20-23(49(41,42)43)12-14-27(25)33(29)16-18-47(35,36)37)9-7-11-30-32(4,5)26-21-24(50(44,45)46)13-15-28(26)34(30)17-19-48(38,39)40/h6-15,20-21H,16-19H2,1-5H3,(H3-,35,36,37,38,39,40,41,42,43,44,45,46)/p+1
別名:TETRASULFOCYANINE
定義日:2006-12-03
最終更新日:2021-03-01
識別子（ID）:2-{(1E,3E,5E,7E)-7-[3,3-dimethyl-5-sulfo-1-(2-sulfoethyl)-1,3-dihydro-2H-indol-2-ylidene]-4-methylhepta-1,3,5-trien-1-yl}-3,3-dimethyl-5-sulfo-1-(2-sulfoethyl)-3H-indolium
T5F
T5F
表記:(2~{S})-2-[[(2~{S})-1-(1-adamantylamino)-3-cyclohexyl-1-oxidanylidene-propan-2-yl]sulfamoylamino]-6-azanyl-hexanoic acid
組成式:C25 H44 N4 O5 S
SMILES:NCCCC[CH](N[S](=O)(=O)N[CH](CC1CCCCC1)C(=O)NC23CC4CC(CC(C4)C2)C3)C(O)=O
InChi:InChI=1S/C25H44N4O5S/c26-9-5-4-8-21(24(31)32)28-35(33,34)29-22(13-17-6-2-1-3-7-17)23(30)27-25-14-18-10-19(15-25)12-20(11-18)16-25/h17-22,28-29H,1-16,26H2,(H,27,30)(H,31,32)/t18-,19+,20-,21-,22-,25-/m0/s1
別名:tafCPB
定義日:2016-09-28
最終更新日:2021-03-01
公開日:2016-10-26
識別子（ID）:(2~{S})-2-[[(2~{S})-1-(1-adamantylamino)-3-cyclohexyl-1-oxidanylidene-propan-2-yl]sulfamoylamino]-6-azanyl-hexanoic acid
T5O
T5O
表記:2'-deoxy-5-methoxyuridine 5'-(dihydrogen phosphate)
組成式:C10 H15 N2 O9 P
SMILES:O=P(O)(O)OCC2OC(N1C(=O)NC(=O)C(OC)=C1)CC2O
InChi:InChI=1S/C10H15N2O9P/c1-19-6-3-12(10(15)11-9(6)14)8-2-5(13)7(21-8)4-20-22(16,17)18/h3,5,7-8,13H,2,4H2,1H3,(H,11,14,15)(H2,16,17,18)/t5-,7+,8+/m0/s1
別名:5-methoxy-2'-deoxyuridine-5'-phosphate
定義日:2009-08-05
最終更新日:2021-03-01
識別子（ID）:2'-deoxy-5-methoxyuridine 5'-(dihydrogen phosphate)
C3M
C3M
表記:N-[(2R,3S)-3-AMINO-2-HYDROXY-4-PHENYLBUTYL]NAPHTHALENE-2-SULFONAMIDE
組成式:C20 H22 N2 O3 S
SMILES:O=S(=O)(c2cc1ccccc1cc2)NCC(O)C(N)Cc3ccccc3
InChi:InChI=1S/C20H22N2O3S/c21-19(12-15-6-2-1-3-7-15)20(23)14-22-26(24,25)18-11-10-16-8-4-5-9-17(16)13-18/h1-11,13,19-20,22-23H,12,14,21H2/t19-,20+/m0/s1
別名:INHIBITOR OF THROMBIN
定義日:2005-12-08
最終更新日:2021-03-01
識別子（ID）:N-[(2R,3S)-3-amino-2-hydroxy-4-phenylbutyl]naphthalene-2-sulfonamide
C3S
C3S
表記:CHOLEST-5-EN-3-YL HYDROGEN SULFATE
組成式:C27 H46 O4 S
SMILES:O=S(=O)(O)OC4CCC3(C(=CCC2C1C(C(C(C)CCCC(C)C)CC1)(C)CCC23)C4)C
InChi:InChI=1S/C27H46O4S/c1-18(2)7-6-8-19(3)23-11-12-24-22-10-9-20-17-21(31-32(28,29)30)13-15-26(20,4)25(22)14-16-27(23,24)5/h9,18-19,21-25H,6-8,10-17H2,1-5H3,(H,28,29,30)/t19-,21+,22+,23-,24+,25+,26+,27-/m1/s1
別名:CHOLESTEROL-SULFATE
定義日:2004-01-23
最終更新日:2021-03-01
識別子（ID）:(3alpha,8alpha,17alpha)-cholest-5-en-3-yl hydrogen sulfate
T6A
T6A
表記:N-[N-(9-B-D-RIBOFURANOSYLPURIN-6-YL)CARBAMOYL]THREONINE-5'-MONOPHOSPHATE
組成式:C15 H21 N6 O11 P
SMILES:O=C(O)C(NC(=O)Nc3ncnc1c3ncn1C2OC(C(O)C2O)COP(=O)(O)O)C(O)C
InChi:InChI=1S/C15H21N6O11P/c1-5(22)7(14(25)26)19-15(27)20-11-8-12(17-3-16-11)21(4-18-8)13-10(24)9(23)6(32-13)2-31-33(28,29)30/h3-7,9-10,13,22-24H,2H2,1H3,(H,25,26)(H2,28,29,30)(H2,16,17,19,20,27)/t5-,6-,7+,9-,10-,13-/m1/s1
別名:N-(NEBULARIN-6-YLCARBAMOYL)-L-THREONINE-5'-MONOPHOSPHATE
定義日:1999-07-08
最終更新日:2021-03-01
識別子（ID）:(2S,3R)-2-{[(9-{(2R,3R,4S,5R)-3,4-dihydroxy-5-[(phosphonooxy)methyl]tetrahydrofuran-2-yl}-9H-purin-6-yl)carbamoyl]amino}-3-hydroxybutanoic acid (non-preferred name)
T6F
T6F
表記:2-C-{3-[(4-amino-2-methylpyrimidin-5-yl)methyl]-5-(2-{[(R)-hydroxy(phosphonooxy)phosphoryl]oxy}ethyl)-4-methyl-1,3-thiazol-3-ium-2-yl}-6-O-phosphono-D-glucitol
組成式:C18 H32 N4 O16 P3 S
SMILES:O=P(O)(O)OCC(O)C(O)C(O)C(O)(c1sc(c([n+]1Cc2cnc(nc2N)C)C)CCOP(=O)(O)OP(=O)(O)O)CO
InChi:InChI=1S/C18H31N4O16P3S/c1-9-13(3-4-36-41(34,35)38-40(31,32)33)42-17(22(9)6-11-5-20-10(2)21-16(11)19)18(27,8-23)15(26)14(25)12(24)7-37-39(28,29)30/h5,12,14-15,23-27H,3-4,6-8H2,1-2H3,(H6-,19,20,21,28,29,30,31,32,33,34,35)/p+1/t12-,14-,15+,18+/m1/s1
別名:D-FRUCTOSE-6-PHOSPHATE THIAMIN DIPHOSPHATE ADDUCT
定義日:2007-10-26
最終更新日:2021-03-01
識別子（ID）:2-C-{3-[(4-amino-2-methylpyrimidin-5-yl)methyl]-5-(2-{[(R)-hydroxy(phosphonooxy)phosphoryl]oxy}ethyl)-4-methyl-1,3-thiazol-3-ium-2-yl}-6-O-phosphono-D-glucitol

222415

件を2024-07-10に公開中

PDB statisticsPDBj update infoContact PDBjnumon