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CGN
CGN
表記:5-OXO-PYRROLIDINE-2-CARBALDEHYDE
組成式:C5 H7 N O2
SMILES:O=CC1NC(=O)CC1
InChi:InChI=1S/C5H7NO2/c7-3-4-1-2-5(8)6-4/h3-4H,1-2H2,(H,6,8)/t4-/m0/s1
定義日:1999-07-08
最終更新日:2024-09-27
識別子（ID）:(2S)-5-oxopyrrolidine-2-carbaldehyde
CGU
CGU
表記:GAMMA-CARBOXY-GLUTAMIC ACID
組成式:C6 H9 N O6
SMILES:O=C(O)C(C(=O)O)CC(N)C(=O)O
InChi:InChI=1S/C6H9NO6/c7-3(6(12)13)1-2(4(8)9)5(10)11/h2-3H,1,7H2,(H,8,9)(H,10,11)(H,12,13)/t3-/m0/s1
定義日:1999-07-08
最終更新日:2024-09-27
識別子（ID）:(3S)-3-aminopropane-1,1,3-tricarboxylic acid
CGV
CGV
表記:S-[(R)-carboxy(hydroxy)methyl]-L-cysteine
組成式:C5 H9 N O5 S
SMILES:O=C(O)C(O)SCC(C(=O)O)N
InChi:InChI=1S/C5H9NO5S/c6-2(3(7)8)1-12-5(11)4(9)10/h2,5,11H,1,6H2,(H,7,8)(H,9,10)/t2-,5+/m0/s1
定義日:2014-01-22
最終更新日:2024-09-27
公開日:2014-10-15
識別子（ID）:S-[(R)-carboxy(hydroxy)methyl]-L-cysteine
CH4
CH4
表記:3-[(2-AMINOETHYL)AMINO]-2-{[(2-AMINOETHYL)AMINO]METHYL}PROPANAL
組成式:C8 H20 N4 O
SMILES:O=CC(CNCCN)CNCCN
InChi:InChI=1S/C8H20N4O/c9-1-3-11-5-8(7-13)6-12-4-2-10/h7-8,11-12H,1-6,9-10H2
定義日:2005-02-09
最終更新日:2024-09-27
識別子（ID）:3-[(2-aminoethyl)amino]-2-{[(2-aminoethyl)amino]methyl}propanal
CH6
CH6
表記:{(4Z)-2-[(1S)-1-amino-3-(methylsulfanyl)propyl]-4-[(4-hydroxyphenyl)methylidene]-5-oxo-4,5-dihydro-1H-imidazol-1-yl}acetic acid
組成式:C16 H19 N3 O4 S
SMILES:O=C1C(N=C(N1CC(=O)O)C(N)CCSC)=Cc2ccc(O)cc2
InChi:InChI=1S/C16H19N3O4S/c1-24-7-6-12(17)15-18-13(16(23)19(15)9-14(21)22)8-10-2-4-11(20)5-3-10/h2-5,8,12,20H,6-7,9,17H2,1H3,(H,21,22)/b13-8-/t12-/m0/s1
別名:CHROMOPHORE (MET-TYR-GLY)
定義日:2004-08-30
最終更新日:2024-09-27
識別子（ID）:{(4Z)-2-[(1S)-1-amino-3-(methylsulfanyl)propyl]-4-[(4-hydroxyphenyl)methylidene]-5-oxo-4,5-dihydro-1H-imidazol-1-yl}acetic acid
CH7
CH7
表記:[(4Z)-4-(4-HYDROXYBENZYLIDENE)-5-OXO-2-(3,4,5,6-TETRAHYDROPYRIDIN-2-YL)-4,5-DIHYDRO-1H-IMIDAZOL-1-YL]ACETIC ACID
組成式:C17 H17 N3 O4
SMILES:O=C2C(N=C(C1=NCCCC1)N2CC(=O)O)=Cc3ccc(O)cc3
InChi:InChI=1S/C17H17N3O4/c21-12-6-4-11(5-7-12)9-14-17(24)20(10-15(22)23)16(19-14)13-3-1-2-8-18-13/h4-7,9,21H,1-3,8,10H2,(H,22,23)/b14-9-
別名:CHROMOPHORE (LYS-TYR-GLY)
定義日:2004-08-31
最終更新日:2024-09-27
識別子（ID）:[(4Z)-4-[(4-hydroxyphenyl)methylidene]-5-oxo-2-(3,4,5,6-tetrahydropyridin-2-yl)-4,5-dihydro-1H-imidazol-1-yl]acetic acid
CHG
CHG
表記:CYCLOHEXYL-GLYCINE
組成式:C8 H15 N O2
SMILES:O=C(O)C(N)C1CCCCC1
InChi:InChI=1S/C8H15NO2/c9-7(8(10)11)6-4-2-1-3-5-6/h6-7H,1-5,9H2,(H,10,11)/t7-/m0/s1
定義日:1999-07-08
最終更新日:2024-09-27
識別子（ID）:(2S)-amino(cyclohexyl)ethanoic acid
CHM
CHM
表記:1,3-DICHLORO-PROPAN-2-ONE
組成式:C3 H4 Cl2 O
SMILES:ClCC(=O)CCl
InChi:InChI=1S/C3H4Cl2O/c4-1-3(6)2-5/h1-2H2
別名:Bis(chloromethyl) ketone
定義日:2002-11-15
最終更新日:2024-09-27
識別子（ID）:1,3-dichloropropan-2-one
CHP
CHP
表記:3-CHLORO-4-HYDROXYPHENYLGLYCINE
組成式:C8 H8 Cl N O3
SMILES:Clc1cc(ccc1O)C(C(=O)O)N
InChi:InChI=1S/C8H8ClNO3/c9-5-3-4(1-2-6(5)11)7(10)8(12)13/h1-3,7,11H,10H2,(H,12,13)/t7-/m0/s1
定義日:1999-07-08
最終更新日:2024-09-27
識別子（ID）:(2S)-amino(3-chloro-4-hydroxyphenyl)ethanoic acid
CHS
CHS
表記:4-AMINO-5-CYCLOHEXYL-3-HYDROXY-PENTANOIC ACID
組成式:C11 H21 N O3
SMILES:O=C(O)CC(O)C(N)CC1CCCCC1
InChi:InChI=1S/C11H21NO3/c12-9(10(13)7-11(14)15)6-8-4-2-1-3-5-8/h8-10,13H,1-7,12H2,(H,14,15)/t9-,10-/m0/s1
定義日:1999-07-08
最終更新日:2024-09-27
識別子（ID）:4-amino-5-cyclohexyl-2,4,5-trideoxy-L-threo-pentonic acid
CHT
CHT
表記:CHOLINE ION
組成式:C5 H14 N O
SMILES:OCC[N+](C)(C)C
InChi:InChI=1S/C5H14NO/c1-6(2,3)4-5-7/h7H,4-5H2,1-3H3/q+1
定義日:2001-02-07
最終更新日:2024-09-27
識別子（ID）:2-hydroxy-N,N,N-trimethylethanaminium
CHX
CHX
表記:CYCLOHEXANE
組成式:C6 H12
SMILES:C1CCCCC1
InChi:InChI=1S/C6H12/c1-2-4-6-5-3-1/h1-6H2
定義日:1999-07-08
最終更新日:2024-09-27
識別子（ID）:cyclohexane
CIF
CIF
表記:methyl (1R,3S)-1-methyl-3-[[3-[[3-methyl-4-[(4-pyridin-3-ylpyrimidin-2-yl)amino]phenyl]carbamoyl]phenyl]carbamoyl]-4-oxidanylidene-cyclohexane-1-carboxylate
組成式:C33 H32 N6 O5
SMILES:COC(=O)[C]1(C)CCC(=O)[CH](C1)C(=O)Nc2cccc(c2)C(=O)Nc3ccc(Nc4nccc(n4)c5cccnc5)c(C)c3
InChi:InChI=1S/C33H32N6O5/c1-20-16-24(9-10-26(20)38-32-35-15-12-27(39-32)22-7-5-14-34-19-22)36-29(41)21-6-4-8-23(17-21)37-30(42)25-18-33(2,31(43)44-3)13-11-28(25)40/h4-10,12,14-17,19,25H,11,13,18H2,1-3H3,(H,36,41)(H,37,42)(H,35,38,39)/t25-,33+/m0/s1
定義日:2023-07-17
最終更新日:2024-09-27
公開日:2024-07-24
識別子（ID）:methyl (1~{R},3~{S})-1-methyl-3-[[3-[[3-methyl-4-[(4-pyridin-3-ylpyrimidin-2-yl)amino]phenyl]carbamoyl]phenyl]carbamoyl]-4-oxidanylidene-cyclohexane-1-carboxylate
CIN
CIN
表記:4-CARBOXYCINNAMIC ACID
組成式:C10 H8 O4
SMILES:O=C(O)c1ccc(C=CC(=O)O)cc1
InChi:InChI=1S/C10H8O4/c11-9(12)6-3-7-1-4-8(5-2-7)10(13)14/h1-6H,(H,11,12)(H,13,14)/b6-3+
定義日:1999-07-08
最終更新日:2024-09-27
識別子（ID）:4-[(E)-2-carboxyethenyl]benzoic acid
CIR
CIR
表記:CITRULLINE
組成式:C6 H13 N3 O3
SMILES:O=C(O)C(N)CCCNC(=O)N
InChi:InChI=1S/C6H13N3O3/c7-4(5(10)11)2-1-3-9-6(8)12/h4H,1-3,7H2,(H,10,11)(H3,8,9,12)/t4-/m0/s1
定義日:1999-07-08
最終更新日:2024-09-27
識別子（ID）:N~5~-carbamoyl-L-ornithine
CIT
CIT
表記:CITRIC ACID
組成式:C6 H8 O7
SMILES:O=C(O)CC(O)(C(=O)O)CC(=O)O
InChi:InChI=1S/C6H8O7/c7-3(8)1-6(13,5(11)12)2-4(9)10/h13H,1-2H2,(H,7,8)(H,9,10)(H,11,12)
定義日:1999-07-08
最終更新日:2024-09-27
識別子（ID）:2-hydroxypropane-1,2,3-tricarboxylic acid
CIV
CIV
表記:2-[2-[(1~{S})-1,5-bis(azanyl)pentyl]-4-[(4-hydroxyphenyl)methyl]-5-oxidanylidene-imidazol-1-yl]ethanamide
組成式:C17 H23 N4 O4
SMILES:NCCCCC(N)C=1N=C(Cc2ccc(O)cc2)C(=O)[N+]=1CC(N)=O
InChi:InChI=1S/C17H22N4O4/c18-8-2-1-3-13(19)16-20-14(17(25)21(16)10-15(23)24)9-11-4-6-12(22)7-5-11/h4-7,13H,1-3,8-10,18-19H2,(H-,22,23,24)/p+1/t13-/m0/s1
別名:CHROMOPHORE (LYS-TYR-GLY)
定義日:2021-11-22
最終更新日:2024-09-27
公開日:2022-04-20
識別子（ID）:3-(2-amino-2-oxoethyl)-2-[(1S)-1,5-diaminopentyl]-5-[(4-hydroxyphenyl)methyl]-4-oxo-4H-imidazol-3-ium
CIX
CIX
表記:N-[(benzyloxy)carbonyl]-L-leucyl-N-[(1R)-1-(dihydroxyboranyl)-3-methylbutyl]-L-leucinamide
組成式:C25 H42 B N3 O6
SMILES:O=C(NC(B(O)O)CC(C)C)C(NC(=O)C(NC(=O)OCc1ccccc1)CC(C)C)CC(C)C
InChi:InChI=1S/C25H42BN3O6/c1-16(2)12-20(24(31)29-22(26(33)34)14-18(5)6)27-23(30)21(13-17(3)4)28-25(32)35-15-19-10-8-7-9-11-19/h7-11,16-18,20-22,33-34H,12-15H2,1-6H3,(H,27,30)(H,28,32)(H,29,31)/t20-,21-,22-/m0/s1
別名:MG262
定義日:2012-08-02
最終更新日:2024-09-27
公開日:2013-06-26
識別子（ID）:N-[(benzyloxy)carbonyl]-L-leucyl-N-[(1R)-1-(dihydroxyboranyl)-3-methylbutyl]-L-leucinamide
CJO
CJO
表記:[(2R,4R)-2-[(1R,2R)-1-amino-2-hydroxypropyl]-4-(4-hydroxybenzyl)-5-oxoimidazolidin-1-yl]acetic acid
組成式:C15 H21 N3 O5
SMILES:O=C1N(CC(=O)O)C(NC1Cc2ccc(O)cc2)C(N)C(O)C
InChi:InChI=1S/C15H21N3O5/c1-8(19)13(16)14-17-11(15(23)18(14)7-12(21)22)6-9-2-4-10(20)5-3-9/h2-5,8,11,13-14,17,19-20H,6-7,16H2,1H3,(H,21,22)/t8-,11-,13+,14?/m1/s1
定義日:2008-12-19
最終更新日:2024-09-27
識別子（ID）:[(2R,4R)-2-[(1R,2R)-1-amino-2-hydroxypropyl]-4-(4-hydroxybenzyl)-5-oxoimidazolidin-1-yl]acetic acid
CJV
CJV
表記:methyl {(1S,2R)-2-[(S)-cyano[1-({1-[4-({1-[4-(dimethylamino)butanoyl]azetidin-3-yl}sulfonyl)phenyl]azetidin-3-yl}methyl)piperidin-4-yl](3-fluorophenyl)methyl]cyclopentyl}carbamate
組成式:C39 H53 F N6 O5 S
SMILES:O=C(NC1CCCC1C(C2CCN(CC2)CC3CN(C3)c4ccc(cc4)S(=O)(C5CN(C5)C(CCCN(C)C)=O)=O)(C#N)c6cc(F)ccc6)OC
InChi:InChI=1S/C39H53FN6O5S/c1-43(2)18-6-11-37(47)46-25-34(26-46)52(49,50)33-14-12-32(13-15-33)45-23-28(24-45)22-44-19-16-29(17-20-44)39(27-41,30-7-4-8-31(40)21-30)35-9-5-10-36(35)42-38(48)51-3/h4,7-8,12-15,21,28-29,34-36H,5-6,9-11,16-20,22-26H2,1-3H3,(H,42,48)/t35-,36-,39-/m0/s1
定義日:2017-09-26
最終更新日:2024-09-27
公開日:2018-01-24
識別子（ID）:methyl {(1S,2R)-2-[(S)-cyano[1-({1-[4-({1-[4-(dimethylamino)butanoyl]azetidin-3-yl}sulfonyl)phenyl]azetidin-3-yl}methyl)piperidin-4-yl](3-fluorophenyl)methyl]cyclopentyl}carbamate
CKC
CKC
表記:(3S)-3,7-diaminoheptan-2-one
組成式:C7 H16 N2 O
SMILES:O=C(C)C(N)CCCCN
InChi:InChI=1S/C7H16N2O/c1-6(10)7(9)4-2-3-5-8/h7H,2-5,8-9H2,1H3/t7-/m0/s1
定義日:2014-09-15
最終更新日:2024-09-27
公開日:2014-10-08
識別子（ID）:(3S)-3,7-diaminoheptan-2-one
CKE
CKE
表記:1-{7-cyclohexyl-6-[4-(4-methylpiperazin-1-yl)benzyl]-7H-pyrrolo[2,3-d]pyrimidin-2-yl}methanamine
組成式:C25 H34 N6
SMILES:n1cc2cc(n(c2nc1CN)C3CCCCC3)Cc4ccc(cc4)N5CCN(C)CC5
InChi:InChI=1S/C25H34N6/c1-29-11-13-30(14-12-29)21-9-7-19(8-10-21)15-23-16-20-18-27-24(17-26)28-25(20)31(23)22-5-3-2-4-6-22/h7-10,16,18,22H,2-6,11-15,17,26H2,1H3
定義日:2007-10-24
最終更新日:2024-09-27
識別子（ID）:1-{7-cyclohexyl-6-[4-(4-methylpiperazin-1-yl)benzyl]-7H-pyrrolo[2,3-d]pyrimidin-2-yl}methanamine
CKF
CKF
表記:3-[[5-(cyclopenten-1-yl)-2-(methylcarbamoyl)phenyl]sulfamoyl]benzenesulfonic acid
組成式:C19 H20 N2 O6 S2
SMILES:CNC(=O)c1ccc(cc1N[S](=O)(=O)c2cccc(c2)[S](O)(=O)=O)C3=CCCC3
InChi:InChI=1S/C19H20N2O6S2/c1-20-19(22)17-10-9-14(13-5-2-3-6-13)11-18(17)21-28(23,24)15-7-4-8-16(12-15)29(25,26)27/h4-5,7-12,21H,2-3,6H2,1H3,(H,20,22)(H,25,26,27)
定義日:2022-04-04
最終更新日:2024-09-27
公開日:2023-09-27
識別子（ID）:3-[[5-(cyclopenten-1-yl)-2-(methylcarbamoyl)phenyl]sulfamoyl]benzenesulfonic acid
CL
CL
表記:CHLORIDE ION
組成式:Cl
SMILES:[Cl-]
InChi:InChI=1S/ClH/h1H/p-1
定義日:1999-07-08
最終更新日:2024-09-27
識別子（ID）:chloride
CLB
CLB
表記:D-PARA-CHLOROPHENYL-1-ACETAMIDOBORONIC ACID ALANINE
組成式:C13 H19 B Cl N2 O6
SMILES:Clc1ccc(cc1)CC(NC(=O)C)[B-](O)(O)OCC(C(=O)O)N
InChi:InChI=1S/C13H19BClN2O6/c1-8(18)17-12(6-9-2-4-10(15)5-3-9)14(21,22)23-7-11(16)13(19)20/h2-5,11-12,21-22H,6-7,16H2,1H3,(H,17,18)(H,19,20)/q-1/t11-,12-/m0/s1
定義日:1999-07-08
最終更新日:2024-09-27
識別子（ID）:[(1R)-1-(acetylamino)-2-(4-chlorophenyl)ethyl](dihydroxy)(L-serinato-kappaO~3~)borate(1-)

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