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
XAD
XAD
表記:9-(2,3-DIDEOXY-6-O-PHOSPHONO-BETA-D-ERYTHRO-HEXOPYRANOSYL)-9H-PURIN-6-AMINE
組成式:C11 H16 N5 O6 P
SMILES:O=P(O)(O)OCC3OC(n1cnc2c(ncnc12)N)CCC3O
InChi:InChI=1S/C11H16N5O6P/c12-10-9-11(14-4-13-10)16(5-15-9)8-2-1-6(17)7(22-8)3-21-23(18,19)20/h4-8,17H,1-3H2,(H2,12,13,14)(H2,18,19,20)/t6-,7+,8+/m0/s1
別名:2',3'-DI-DEOXY-BETA-D-GLUCOPYRANOSYL ADENINE
定義日:2006-06-20
最終更新日:2020-06-17
識別子（ID）:9-(2,3-dideoxy-6-O-phosphono-beta-D-erythro-hexopyranosyl)-9H-purin-6-amine
LAX
LAX
表記:EICOSA-8,11,14-TRIENOIC ACID
組成式:C20 H34 O2
SMILES:O=C(O)CCCCCCC=C/CC=C/CC=C/CCCCC
InChi:InChI=1S/C20H34O2/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-20(21)22/h6-7,9-10,12-13H,2-5,8,11,14-19H2,1H3,(H,21,22)/b7-6-,10-9-,13-12-
別名:DIHOMO-GAMMA-LINOLENIC ACID
定義日:2000-08-10
最終更新日:2020-06-17
識別子（ID）:(8Z,11Z,14Z)-icosa-8,11,14-trienoic acid
XAT
XAT
表記:(3S,5R,6S,3'S,5'R,6'S)-5,6,5',6'-DIEPOXY-5,6,5',6'- TETRAHYDRO-BETA,BETA-CAROTENE-3,3'-DIOL
組成式:C40 H56 O4
SMILES:OC1CC(C)(C)C2(OC2(C)C1)/C=C/C(=C/C=C/C(=C/C=C/C=C(/C=C/C=C(/C=C/C34OC4(C)CC(O)CC3(C)C)C)C)C)C
InChi:InChI=1S/C40H56O4/c1-29(17-13-19-31(3)21-23-39-35(5,6)25-33(41)27-37(39,9)43-39)15-11-12-16-30(2)18-14-20-32(4)22-24-40-36(7,8)26-34(42)28-38(40,10)44-40/h11-24,33-34,41-42H,25-28H2,1-10H3/b12-11+,17-13+,18-14+,23-21+,24-22+,29-15+,30-16+,31-19+,32-20+/t33-,34-,37+,38+,39-,40-/m0/s1
別名:VIOLAXANTHIN
定義日:2003-12-22
最終更新日:2020-06-17
識別子（ID）:(3S,3'S,5R,5'R,6S,6'S)-5,5',6,6'-tetrahydro-5,6:5',6'-diepoxy-beta,beta-carotene-3,3'-diol
LBN
LBN
表記:1-palmitoyl-2-oleoyl-sn-glycero-3-phosphocholine
組成式:C42 H82 N O8 P
SMILES:C(C(COC(CCCCCCCCCCCCCCC)=O)OC(CCCCCCCC=[C@H]CCCCCCCC)=O)OP(OCC[N+](C)(C)C)([O-])=O
InChi:InChI=1S/C42H82NO8P/c1-6-8-10-12-14-16-18-20-21-23-25-27-29-31-33-35-42(45)51-40(39-50-52(46,47)49-37-36-43(3,4)5)38-48-41(44)34-32-30-28-26-24-22-19-17-15-13-11-9-7-2/h20-21,40H,6-19,22-39H2,1-5H3/b21-20-/t40-/m1/s1
別名:(2R)-2-[(9Z)-9-Octadecenoyloxy]-3-(palmitoyloxy)propyl 2-(trimethylammonio)ethyl phosphate
定義日:2013-02-14
最終更新日:2020-06-17
公開日:2020-01-08
識別子（ID）:(2R)-3-(hexadecanoyloxy)-2-{[(9Z)-octadec-9-enoyl]oxy}propyl 2-(trimethylazaniumyl)ethyl phosphate
LBV
LBV
表記:3-[2-[(Z)-[3-(2-carboxyethyl)-5-[(Z)-(4-ethenyl-3-methyl-5-oxidanylidene-pyrrol-2-ylidene)methyl]-4-methyl-pyrrol-1-ium -2-ylidene]methyl]-5-[(Z)-[(3E)-3-ethylidene-4-methyl-5-oxidanylidene-pyrrolidin-2-ylidene]methyl]-4-methyl-1H-pyrrol-3- yl]propanoic acid
組成式:C33 H37 N4 O6
SMILES:CC=C1[CH](C)C(=O)NC1=Cc2[nH]c(C=C3[NH+]=C(C=C4NC(=O)C(=C4C)C=C)C(=C3CCC(O)=O)C)c(CCC(O)=O)c2C
InChi:InChI=1S/C33H36N4O6/c1-7-20-19(6)32(42)37-27(20)14-25-18(5)23(10-12-31(40)41)29(35-25)15-28-22(9-11-30(38)39)17(4)24(34-28)13-26-16(3)21(8-2)33(43)36-26/h7-8,13-15,19,35H,2,9-12H2,1,3-6H3,(H,36,43)(H,37,42)(H,38,39)(H,40,41)/p+1/b20-7+,26-13-,27-14-,28-15-/t19-/m0/s1
別名:2(R),3(E)- PHYTOCHROMOBILIN
定義日:2006-12-22
最終更新日:2020-06-17
識別子（ID）:3-[2-[(Z)-[3-(2-carboxyethyl)-5-[(Z)-(4-ethenyl-3-methyl-5-oxidanylidene-pyrrol-2-ylidene)methyl]-4-methyl-pyrrol-1-ium-2-ylidene]methyl]-5-[(Z)-[(3E)-3-ethylidene-4-methyl-5-oxidanylidene-pyrrolidin-2-ylidene]methyl]-4-methyl-1H-pyrrol-3-yl]propanoic acid
LCF
LCF
表記:[6-(4-CHLOROPHENYL)-2,2-DIMETHYL-7-PHENYL-2,3-DIHYDRO-1H-PYRROLIZIN-5-YL]ACETIC ACID
組成式:C23 H22 Cl N O2
SMILES:Clc4ccc(c1c(n3c(c1c2ccccc2)CC(C)(C3)C)CC(=O)O)cc4
InChi:InChI=1S/C23H22ClNO2/c1-23(2)13-19-22(15-6-4-3-5-7-15)21(16-8-10-17(24)11-9-16)18(12-20(26)27)25(19)14-23/h3-11H,12-14H2,1-2H3,(H,26,27)
別名:LICOFELONE
定義日:2005-06-14
最終更新日:2020-06-17
識別子（ID）:[6-(4-chlorophenyl)-2,2-dimethyl-7-phenyl-2,3-dihydro-1H-pyrrolizin-5-yl]acetic acid
5VC
5VC
表記:4-(3-chloranyl-2-fluoranyl-phenoxy)-1-[[6-(1,3-thiazol-2-ylamino)pyridin-2-yl]methyl]cyclohexane-1-carboxylic acid
組成式:C22 H21 Cl F N3 O3 S
SMILES:OC(=O)[C]1(CC[CH](CC1)Oc2cccc(Cl)c2F)Cc3cccc(Nc4sccn4)n3
InChi:InChI=1S/C22H21ClFN3O3S/c23-16-4-2-5-17(19(16)24)30-15-7-9-22(10-8-15,20(28)29)13-14-3-1-6-18(26-14)27-21-25-11-12-31-21/h1-6,11-12,15H,7-10,13H2,(H,28,29)(H,25,26,27)/t15-,22-
別名:MK-5108
定義日:2015-12-08
最終更新日:2020-06-17
公開日:2016-01-20
識別子（ID）:4-(3-chloranyl-2-fluoranyl-phenoxy)-1-[[6-(1,3-thiazol-2-ylamino)pyridin-2-yl]methyl]cyclohexane-1-carboxylic acid
LCR
LCR
表記:(2-{4-[(R)-(4-chlorophenyl)(phenyl)methyl]piperazin-1-yl}ethoxy)acetic acid
組成式:C21 H25 Cl N2 O3
SMILES:O=C(O)COCCN1CCN(CC1)C(c2ccccc2)c3ccc(Cl)cc3
InChi:InChI=1S/C21H25ClN2O3/c22-19-8-6-18(7-9-19)21(17-4-2-1-3-5-17)24-12-10-23(11-13-24)14-15-27-16-20(25)26/h1-9,21H,10-16H2,(H,25,26)/t21-/m1/s1
別名:R-levocetirizine
定義日:2015-09-16
最終更新日:2020-06-17
公開日:2015-12-23
識別子（ID）:(2-{4-[(R)-(4-chlorophenyl)(phenyl)methyl]piperazin-1-yl}ethoxy)acetic acid
XCH
XCH
表記:Droxinostat
組成式:C11 H14 Cl N O3
SMILES:Clc1ccc(c(c1)C)OCCCC(NO)=O
InChi:InChI=1S/C11H14ClNO3/c1-8-7-9(12)4-5-10(8)16-6-2-3-11(14)13-15/h4-5,7,15H,2-3,6H2,1H3,(H,13,14)
別名:4-(4-chloro-2-methylphenoxy)-N-hydroxybutanamide
定義日:2015-06-09
最終更新日:2020-06-17
公開日:2016-06-08
識別子（ID）:4-(4-chloro-2-methylphenoxy)-N-hydroxybutanamide
5VW
5VW
表記:[[(3~{R},6~{S})-1-methanoyl-6-[[(3~{S})-pyrrolidin-3-yl]oxycarbamoyl]piperidin-3-yl]amino] hydrogen sulfate
組成式:C11 H20 N4 O7 S
SMILES:O[S](=O)(=O)ON[CH]1CC[CH](N(C1)C=O)C(=O)NO[CH]2CCNC2
InChi:InChI=1S/C11H20N4O7S/c16-7-15-6-8(13-22-23(18,19)20)1-2-10(15)11(17)14-21-9-3-4-12-5-9/h7-10,12-13H,1-6H2,(H,14,17)(H,18,19,20)/t8-,9+,10+/m1/s1
別名:FPI-1465, bound form
定義日:2015-12-14
最終更新日:2020-06-17
公開日:2016-01-20
識別子（ID）:[[(3~{R},6~{S})-1-methanoyl-6-[[(3~{S})-pyrrolidin-3-yl]oxycarbamoyl]piperidin-3-yl]amino] hydrogen sulfate
CE9
CE9
表記:DODECYL NONA ETHYLENE GLYCOL ETHER
組成式:C30 H62 O10
SMILES:O(CCOCCOCCO)CCOCCOCCOCCOCCOCCOCCCCCCCCCCCC
InChi:InChI=1S/C30H62O10/c1-2-3-4-5-6-7-8-9-10-11-13-32-15-17-34-19-21-36-23-25-38-27-29-40-30-28-39-26-24-37-22-20-35-18-16-33-14-12-31/h31H,2-30H2,1H3
別名:POLYDOCANOL
定義日:1999-07-08
最終更新日:2020-06-17
識別子（ID）:3,6,9,12,15,18,21,24,27-nonaoxanonatriacontan-1-ol
5W3
5W3
表記:~{N}-[2-[[6-chloranyl-3-[3-(2-hydroxyethylsulfamoyl)-4-methoxy-phenyl]-2-methyl-imidazo[1,2-b]pyridazin-8-yl]amino]ethy l]ethanamide
組成式:C20 H25 Cl N6 O5 S
SMILES:COc1ccc(cc1[S](=O)(=O)NCCO)c2n3nc(Cl)cc(NCCNC(C)=O)c3nc2C
InChi:InChI=1S/C20H25ClN6O5S/c1-12-19(14-4-5-16(32-3)17(10-14)33(30,31)24-8-9-28)27-20(25-12)15(11-18(21)26-27)23-7-6-22-13(2)29/h4-5,10-11,23-24,28H,6-9H2,1-3H3,(H,22,29)
別名:MI364
定義日:2015-12-14
最終更新日:2020-06-17
公開日:2016-12-28
識別子（ID）:~{N}-[2-[[6-chloranyl-3-[3-(2-hydroxyethylsulfamoyl)-4-methoxy-phenyl]-2-methyl-imidazo[1,2-b]pyridazin-8-yl]amino]ethyl]ethanamide
CEB
CEB
表記:2-CHLORO-4-ETHYLAMINO-6-(S(-)-2'-CYANO-4-BUTYLAMINO)-1,3,5-TRIAZINE
組成式:C10 H15 Cl N6
SMILES:Clc1nc(nc(n1)NC(C#N)(C)CC)NCC
InChi:InChI=1S/C10H15ClN6/c1-4-10(3,6-12)17-9-15-7(11)14-8(16-9)13-5-2/h4-5H2,1-3H3,(H2,13,14,15,16,17)/t10-/m0/s1
別名:DG-420314
定義日:1999-07-08
最終更新日:2020-06-17
識別子（ID）:(2S)-2-{[4-chloro-6-(ethylamino)-1,3,5-triazin-2-yl]amino}-2-methylbutanenitrile
CED
CED
表記:5-METHYL-2-[2-OXO-1-(2-THIOPHEN-2-YL-ACETYLAMINO)-ETHYL]-3,6-DIHYDRO-2H-[1,3]THIAZINE-4-CARBOXYLIC ACID
組成式:C14 H16 N2 O4 S2
SMILES:O=CC(NC(=O)Cc1sccc1)C2SCC(=C(C(=O)O)N2)C
InChi:InChI=1S/C14H16N2O4S2/c1-8-7-22-13(16-12(8)14(19)20)10(6-17)15-11(18)5-9-3-2-4-21-9/h2-4,6,10,13,16H,5,7H2,1H3,(H,15,18)(H,19,20)/t10-,13-/m1/s1
別名:DEGRADED CEPHALORIDINE, open form
定義日:2000-12-20
最終更新日:2020-06-17
識別子（ID）:(2R)-5-methyl-2-{(1R)-2-oxo-1-[(thiophen-2-ylacetyl)amino]ethyl}-3,6-dihydro-2H-1,3-thiazine-4-carboxylic acid
CEH
CEH
表記:5-{3-(S)-(4-(R)-ACETYLAMINO-4-CARBOXY-BUTYRYLAMINO)-3-[1-(R)-(1-(R)-CARBOXY-ETHYLCARBAMOYL)-ETHYLCARBAMOYL]-PROPYL}-2-( CARBOXY-PHENYLACETYLAMINO-METHYL)-3,6-DIHYDRO-2H-[1,3]THIAZINE-4-CARBOXYLIC ACID
組成式:C32 H42 N6 O13 S
SMILES:O=C(O)C(NC(=O)C(NC(=O)C(NC(=O)CCC(C(=O)O)NC(=O)C)CCC1=C(NC(SC1)C(NC(=O)Cc2ccccc2)C(=O)O)C(=O)O)C)C
InChi:InChI=1S/C32H42N6O13S/c1-15(26(42)34-16(2)29(44)45)33-27(43)20(36-22(40)12-11-21(30(46)47)35-17(3)39)10-9-19-14-52-28(38-24(19)31(48)49)25(32(50)51)37-23(41)13-18-7-5-4-6-8-18/h4-8,15-16,20-21,25,28,38H,9-14H2,1-3H3,(H,33,43)(H,34,42)(H,35,39)(H,36,40)(H,37,41)(H,44,45)(H,46,47)(H,48,49)(H,50,51)/t15-,16-,20+,21-,25+,28-/m1/s1
別名:CEPHALOSPORIN ANALOG
定義日:2001-01-09
最終更新日:2020-06-17
識別子（ID）:N-{(2S)-2-[(N-acetyl-D-gamma-glutamyl)amino]-4-[(2R)-4-carboxy-2-{(R)-carboxy[(phenylacetyl)amino]methyl}-3,6-dihydro-2H-1,3-thiazin-5-yl]butanoyl}-D-alanyl-D-alanine
5WB
5WB
表記:5-[(3S)-3-methoxy-3-(3,4,5-trimethoxyphenyl)prop-1-yn-1-yl]-6-methylpyrimidine-2,4-diamine
組成式:C18 H22 N4 O4
SMILES:C(#CC(OC)c1cc(OC)c(OC)c(OC)c1)c2c(nc(nc2C)N)N
InChi:InChI=1S/C18H22N4O4/c1-10-12(17(19)22-18(20)21-10)6-7-13(23-2)11-8-14(24-3)16(26-5)15(9-11)25-4/h8-9,13H,1-5H3,(H4,19,20,21,22)/t13-/m1/s1
別名:(S)-2,4-diamino-5-(3-methoxy-3-(3,4,5-trimethoxyphenyl)prop-1-ynyl)-6-methylpyrimidine
定義日:2009-09-22
最終更新日:2020-06-17
識別子（ID）:5-[(3S)-3-methoxy-3-(3,4,5-trimethoxyphenyl)prop-1-yn-1-yl]-6-methylpyrimidine-2,4-diamine
XD6
XD6
表記:(5Z)-13-CHLORO-14,16-DIHYDROXY-1,11-DIOXO-3,4,7,8,9,10,11,12-OCTAHYDRO-1H-2-BENZOXACYCLOTETRADECINE-6-CARBALDEHYDE
組成式:C18 H19 Cl O6
SMILES:O=C1OCCC=C(C=O)CCCCC(=O)Cc2c1c(O)cc(O)c2Cl
InChi:InChI=1S/C18H19ClO6/c19-17-13-8-12(21)6-2-1-4-11(10-20)5-3-7-25-18(24)16(13)14(22)9-15(17)23/h5,9-10,22-23H,1-4,6-8H2/b11-5-
別名:RESORCYCLIC ACID MACROLACTONE
定義日:2010-04-29
最終更新日:2020-06-17
識別子（ID）:(5Z)-13-chloro-14,16-dihydroxy-1,11-dioxo-3,4,7,8,9,10,11,12-octahydro-1H-2-benzoxacyclotetradecine-6-carbaldehyde
CEK
CEK
表記:(9aS)-8-acetyl-1,7-dihydroxy-3-methoxy-9a-methyl-N-(1-naphthylmethyl)-9-oxo-9,9a-dihydrodibenzo[b,d]furan-4-carboxamide
組成式:C28 H23 N O7
SMILES:COc1cc(O)c2c(OC3=CC(=C(C(C)=O)C(=O)[C]23C)O)c1C(=O)NCc4cccc5ccccc45
InChi:InChI=1S/C28H23NO7/c1-14(30)22-18(31)12-21-28(2,26(22)33)24-19(32)11-20(35-3)23(25(24)36-21)27(34)29-13-16-9-6-8-15-7-4-5-10-17(15)16/h4-12,31-32H,13H2,1-3H3,(H,29,34)/t28-/m1/s1
別名:(9aS)-8-acetyl-1,7-dihydroxy-3-methoxy-9a-methyl-N-(naphthalen-1-ylmethyl)-9-oxo-9,9a-dihydrodibenzo[b,d]furan-4-carbox amide
定義日:2010-02-16
最終更新日:2020-06-17
識別子（ID）:(9aS)-8-ethanoyl-1,7-dihydroxy-3-methoxy-9a-methyl-N-(naphthalen-1-ylmethyl)-9-oxo-dibenzofuran-4-carboxamide
CEL
CEL
表記:4-[5-(4-METHYLPHENYL)-3-(TRIFLUOROMETHYL)-1H-PYRAZOL-1-YL]BENZENESULFONAMIDE
組成式:C17 H14 F3 N3 O2 S
SMILES:O=S(=O)(c3ccc(n1nc(cc1c2ccc(cc2)C)C(F)(F)F)cc3)N
InChi:InChI=1S/C17H14F3N3O2S/c1-11-2-4-12(5-3-11)15-10-16(17(18,19)20)22-23(15)13-6-8-14(9-7-13)26(21,24)25/h2-10H,1H3,(H2,21,24,25)
別名:CELECOXIB
定義日:2003-03-20
最終更新日:2020-06-17
識別子（ID）:4-[5-(4-methylphenyl)-3-(trifluoromethyl)-1H-pyrazol-1-yl]benzenesulfonamide
CER
CER
表記:(2S, 3R)-3-HYDROXY-4-OXO-7,10-TRANS,TRANS-DODECADIENAMIDE
組成式:C12 H19 N O3
SMILES:O=C(N)CC(O)C(=O)CC/C=C/C/C=C/C
InChi:InChI=1S/C12H19NO3/c1-2-3-4-5-6-7-8-10(14)11(15)9-12(13)16/h2-3,5-6,11,15H,4,7-9H2,1H3,(H2,13,16)/b3-2+,6-5+/t11-/m0/s1
別名:CERULENIN
定義日:1999-07-08
最終更新日:2020-06-17
識別子（ID）:(3S,7E,10E)-3-hydroxy-4-oxododeca-7,10-dienamide
5WN
5WN
表記:3-[(sulfamoylamino)methyl]-1-benzothiophene
組成式:C9 H10 N2 O2 S2
SMILES:N[S](=O)(=O)NCc1csc2ccccc12
InChi:InChI=1S/C9H10N2O2S2/c10-15(12,13)11-5-7-6-14-9-4-2-1-3-8(7)9/h1-4,6,11H,5H2,(H2,10,12,13)
別名:JNJ-26990990
定義日:2015-12-16
最終更新日:2020-06-17
公開日:2016-05-18
識別子（ID）:3-[(sulfamoylamino)methyl]-1-benzothiophene
CES
CES
表記:2-[CARBOXY-(2-FURAN-2-YL-2-METHOXYIMINO-ACETYLAMINO)-METHYL]-5-METHYL-3,6-DIHYDRO-2H-[1,3]THIAZINE-4-CARBOXYLIC ACID
組成式:C15 H17 N3 O7 S
SMILES:O=C(O)C(NC(=O)/C(=NOC)c1occc1)C2SCC(=C(N2)C(=O)O)C
InChi:InChI=1S/C15H17N3O7S/c1-7-6-26-13(17-9(7)14(20)21)11(15(22)23)16-12(19)10(18-24-2)8-4-3-5-25-8/h3-5,11,13,17H,6H2,1-2H3,(H,16,19)(H,20,21)(H,22,23)/b18-10-/t11-,13+/m0/s1
別名:CEFUROXIME (INHIBITION FORM)
定義日:1999-10-06
最終更新日:2020-06-17
識別子（ID）:(2R)-2-[(R)-carboxy{[(2Z)-2-furan-2-yl-2-(methoxyimino)acetyl]amino}methyl]-5-methyl-3,6-dihydro-2H-1,3-thiazine-4-carboxylic acid
CET
CET
表記:2-CHLORO-4-ETHYLAMINO-6-(R(+)-2'-CYANO-4-BUTYLAMINO)-1,3,5-TRIAZINE
組成式:C10 H15 Cl N6
SMILES:Clc1nc(nc(n1)NC(C#N)(C)CC)NCC
InChi:InChI=1S/C10H15ClN6/c1-4-10(3,6-12)17-9-15-7(11)14-8(16-9)13-5-2/h4-5H2,1-3H3,(H2,13,14,15,16,17)/t10-/m1/s1
別名:DG-420315
定義日:1999-07-08
最終更新日:2020-06-17
識別子（ID）:(2R)-2-{[4-chloro-6-(ethylamino)-1,3,5-triazin-2-yl]amino}-2-methylbutanenitrile
XDR
XDR
表記:hexyl (5S,6R,8R)-6-hydroxy-5-methyl-13-oxo-5,6,7,8-tetrahydro-13H-5,8-epoxy-4b,8a,14-triazadibenzo[b,h]cycloocta[1,2,3,4-jkl]c yclopenta[e]-as-indacene-6-carboxylate
組成式:C32 H29 N3 O5
SMILES:O=C5N=Cc4c2c3n(c1ccccc12)C8(OC(n6c3c(c45)c7ccccc67)CC8(O)C(=O)OCCCCCC)C
InChi:InChI=1S/C32H29N3O5/c1-3-4-5-10-15-39-30(37)32(38)16-23-34-21-13-8-6-11-18(21)25-26-20(17-33-29(26)36)24-19-12-7-9-14-22(19)35(28(24)27(25)34)31(32,2)40-23/h6-9,11-14,17,23,38H,3-5,10,15-16H2,1-2H3/t23-,31+,32+/m1/s1
別名:KT5720
定義日:2008-11-12
最終更新日:2020-06-17
識別子（ID）:hexyl (5S,6R,8R)-6-hydroxy-5-methyl-13-oxo-5,6,7,8-tetrahydro-13H-5,8-epoxy-4b,8a,14-triazadibenzo[b,h]cycloocta[1,2,3,4-jkl]cyclopenta[e]-as-indacene-6-carboxylate
CFF
CFF
表記:CAFFEINE
組成式:C8 H10 N4 O2
SMILES:O=C2N(c1ncn(c1C(=O)N2C)C)C
InChi:InChI=1S/C8H10N4O2/c1-10-4-9-6-5(10)7(13)12(3)8(14)11(6)2/h4H,1-3H3
別名:3,7-DIHYDRO-1,3,7-TRIMETHYL-1H-PURINE-2,6-DIONE
定義日:2000-05-16
最終更新日:2020-06-17
識別子（ID）:1,3,7-trimethyl-3,7-dihydro-1H-purine-2,6-dione

222624

件を2024-07-17に公開中

PDB statisticsPDBj update infoContact PDBjnumon