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MNB
MNB
表記:5-MERCAPTO-2-NITRO-BENZOIC ACID
組成式:C7 H5 N O4 S
SMILES:O=[N+]([O-])c1c(cc(S)cc1)C(=O)O
InChi:InChI=1S/C7H5NO4S/c9-7(10)5-3-4(13)1-2-6(5)8(11)12/h1-3,13H,(H,9,10)
定義日:2000-06-08
最終更新日:2024-09-27
識別子（ID）:2-nitro-5-sulfanylbenzoic acid
T6M
T6M
表記:1-{4-[(4-chlorophenyl)sulfonyl]piperazin-1-yl}ethan-1-one
組成式:C12 H15 Cl N2 O3 S
SMILES:N1(CCN(CC1)C(C)=O)S(c2ccc(cc2)Cl)(=O)=O
InChi:InChI=1S/C12H15ClN2O3S/c1-10(16)14-6-8-15(9-7-14)19(17,18)12-4-2-11(13)3-5-12/h2-5H,6-9H2,1H3
定義日:2020-03-16
最終更新日:2024-09-27
公開日:2020-03-25
識別子（ID）:1-{4-[(4-chlorophenyl)sulfonyl]piperazin-1-yl}ethan-1-one
SXO
SXO
表記:S-[2-({N-[(2S)-2-hydroxy-3,3-dimethyl-4-(phosphonooxy)butanoyl]-beta-alanyl}amino)ethyl] octanethioate
組成式:C19 H37 N2 O8 P S
SMILES:O=C(SCCNC(=O)CCNC(=O)C(O)C(C)(C)COP(=O)(O)O)CCCCCCC
InChi:InChI=1S/C19H37N2O8PS/c1-4-5-6-7-8-9-16(23)31-13-12-20-15(22)10-11-21-18(25)17(24)19(2,3)14-29-30(26,27)28/h17,24H,4-14H2,1-3H3,(H,20,22)(H,21,25)(H2,26,27,28)/t17-/m1/s1
定義日:2009-04-01
最終更新日:2024-09-27
識別子（ID）:S-[2-({N-[(2S)-2-hydroxy-3,3-dimethyl-4-(phosphonooxy)butanoyl]-beta-alanyl}amino)ethyl] octanethioate
URK
URK
表記:[(1S)-2-[(2,3-dimethoxyphenyl)methylamino]-1-(4-nitrophenyl)-2-oxidanylidene-ethyl] prop-2-enoate
組成式:C20 H20 N2 O7
SMILES:COc1cccc(CNC(=O)[CH](OC(=O)C=C)c2ccc(cc2)[N+]([O-])=O)c1OC
InChi:InChI=1S/C20H20N2O7/c1-4-17(23)29-19(13-8-10-15(11-9-13)22(25)26)20(24)21-12-14-6-5-7-16(27-2)18(14)28-3/h4-11,19H,1,12H2,2-3H3,(H,21,24)/t19-/m0/s1
別名:[(1~{S})-2-[(2,3-dimethoxyphenyl)methylamino]-1-(4-nitrophenyl)-2-oxidanylidene-ethyl] prop-2-enoate
定義日:2021-03-10
最終更新日:2024-09-27
公開日:2021-06-16
識別子（ID）:[(1~{S})-2-[(2,3-dimethoxyphenyl)methylamino]-1-(4-nitrophenyl)-2-oxidanylidene-ethyl] prop-2-enoate
NWJ
NWJ
表記:2-amino-6-(3-formylphenyl)-4-(pyrrolidin-1-yl)-7H-pyrrolo[2,3-d]pyrimidine-5-carbonitrile
組成式:C18 H16 N6 O
SMILES:O=Cc1cccc(c1)c3c(C#N)c2c(nc(nc2n3)N)N4CCCC4
InChi:InChI=1S/C18H16N6O/c19-9-13-14-16(21-15(13)12-5-3-4-11(8-12)10-25)22-18(20)23-17(14)24-6-1-2-7-24/h3-5,8,10H,1-2,6-7H2,(H3,20,21,22,23)
定義日:2014-01-15
最終更新日:2024-09-27
公開日:2015-01-21
識別子（ID）:2-amino-6-(3-formylphenyl)-4-(pyrrolidin-1-yl)-7H-pyrrolo[2,3-d]pyrimidine-5-carbonitrile
BCS
BCS
表記:BENZYLCYSTEINE
組成式:C10 H13 N O2 S
SMILES:O=C(O)C(N)CSCc1ccccc1
InChi:InChI=1S/C10H13NO2S/c11-9(10(12)13)7-14-6-8-4-2-1-3-5-8/h1-5,9H,6-7,11H2,(H,12,13)/t9-/m0/s1
定義日:1999-07-08
最終更新日:2024-09-27
識別子（ID）:S-benzyl-L-cysteine
MND
MND
表記:N-methyl-D-asparagine
組成式:C5 H10 N2 O3
SMILES:O=C(NC)CC(N)C(=O)O
InChi:InChI=1S/C5H10N2O3/c1-7-4(8)2-3(6)5(9)10/h3H,2,6H2,1H3,(H,7,8)(H,9,10)/t3-/m1/s1
定義日:2008-06-02
最終更新日:2024-09-27
識別子（ID）:N-methyl-D-asparagine
URL
URL
表記:[(2~{S})-2-azanyl-4-methyl-pentyl]carbamic acid
組成式:C7 H16 N2 O2
SMILES:CC(C)C[CH](N)CNC(O)=O
InChi:InChI=1S/C7H16N2O2/c1-5(2)3-6(8)4-9-7(10)11/h5-6,9H,3-4,8H2,1-2H3,(H,10,11)/t6-/m0/s1
定義日:2018-08-22
最終更新日:2024-09-27
公開日:2021-02-17
識別子（ID）:[(2~{S})-2-azanyl-4-methyl-pentyl]carbamic acid
BCT
BCT
表記:BICARBONATE ION
組成式:C H O3
SMILES:[O-]C(=O)O
InChi:InChI=1S/CH2O3/c2-1(3)4/h(H2,2,3,4)/p-1
定義日:1999-07-08
最終更新日:2024-09-27
識別子（ID）:hydrogen carbonate
TN4
TN4
表記:(1R,2S,3S,4R)-4-hydroxy-2-methoxy-4-methyl-3-[(2R,3R)-2-methyl-3-(3-methylbut-2-en-1-yl)oxiran-2-yl]cyclohexyl (chloroacetyl)carbamate
組成式:C19 H30 Cl N O6
SMILES:ClCC(=O)NC(=O)OC2CCC(O)(C(C1(OC1C/C=C(/C)C)C)C2OC)C
InChi:InChI=1S/C19H30ClNO6/c1-11(2)6-7-13-19(4,27-13)16-15(25-5)12(8-9-18(16,3)24)26-17(23)21-14(22)10-20/h6,12-13,15-16,24H,7-10H2,1-5H3,(H,21,22,23)/t12-,13-,15-,16+,18-,19+/m1/s1
別名:TNP-470 (Open form)
定義日:2003-04-24
最終更新日:2024-09-27
識別子（ID）:(1R,2S,3S,4R)-4-hydroxy-2-methoxy-4-methyl-3-[(2R,3R)-2-methyl-3-(3-methylbut-2-en-1-yl)oxiran-2-yl]cyclohexyl (chloroacetyl)carbamate
SXR
SXR
表記:N~3~-{(2S)-4-[(dihydroxyphosphanyl)oxy]-2-hydroxy-3,3-dimethylbutanoyl}-N-{2-[(3-oxo-5-phenylpentyl)sulfanyl]ethyl}-beta-alaninamide
組成式:C22 H35 N2 O7 P S
SMILES:O=C(NCCC(=O)NCCSCCC(=O)CCc1ccccc1)C(O)C(C)(C)COP(O)O
InChi:InChI=1S/C22H35N2O7PS/c1-22(2,16-31-32(29)30)20(27)21(28)24-12-10-19(26)23-13-15-33-14-11-18(25)9-8-17-6-4-3-5-7-17/h3-7,20,27,29-30H,8-16H2,1-2H3,(H,23,26)(H,24,28)/t20-/m1/s1
定義日:2014-10-16
最終更新日:2024-09-27
公開日:2015-10-21
識別子（ID）:N~3~-{(2S)-4-[(dihydroxyphosphanyl)oxy]-2-hydroxy-3,3-dimethylbutanoyl}-N-{2-[(3-oxo-5-phenylpentyl)sulfanyl]ethyl}-beta-alaninamide
AKG
AKG
表記:2-OXOGLUTARIC ACID
組成式:C5 H6 O5
SMILES:O=C(O)C(=O)CCC(=O)O
InChi:InChI=1S/C5H6O5/c6-3(5(9)10)1-2-4(7)8/h1-2H2,(H,7,8)(H,9,10)
定義日:1999-07-08
最終更新日:2024-09-27
識別子（ID）:2-oxopentanedioic acid
N2P
N2P
表記:PENTANE-1,5-DIAMINE
組成式:C5 H14 N2
SMILES:NCCCCCN
InChi:InChI=1S/C5H14N2/c6-4-2-1-3-5-7/h1-7H2
定義日:2002-05-23
最終更新日:2024-09-27
識別子（ID）:pentane-1,5-diamine
TN6
TN6
表記:diethylphosphoramidic acid
組成式:C4 H12 N O3 P
SMILES:O=P(O)(O)N(CC)CC
InChi:InChI=1S/C4H12NO3P/c1-3-5(4-2)9(6,7)8/h3-4H2,1-2H3,(H2,6,7,8)
定義日:2009-05-11
最終更新日:2024-09-27
識別子（ID）:diethylphosphoramidic acid
N2Q
N2Q
表記:(5P)-5-(5-methylfuran-2-yl)-1H-pyrazole
組成式:C8 H8 N2 O
SMILES:Cc1ccc(o1)c1[NH]ncc1
InChi:InChI=1S/C8H8N2O/c1-6-2-3-8(11-6)7-4-5-9-10-7/h2-5H,1H3,(H,9,10)
定義日:2022-03-23
最終更新日:2024-09-27
公開日:2022-03-30
識別子（ID）:(5P)-5-(5-methylfuran-2-yl)-1H-pyrazole
PL7
PL7
表記:(2E)-2-({(2S)-2-CARBOXY-2-[(PHENOXYACETYL)AMINO]ETHOXY}IMINO)PENTANEDIOIC ACID
組成式:C16 H18 N2 O9
SMILES:O=C(O)CCC(=NOCC(C(=O)O)NC(=O)COc1ccccc1)/C(=O)O
InChi:InChI=1S/C16H18N2O9/c19-13(9-26-10-4-2-1-3-5-10)17-12(16(24)25)8-27-18-11(15(22)23)6-7-14(20)21/h1-5,12H,6-9H2,(H,17,19)(H,20,21)(H,22,23)(H,24,25)/b18-11+/t12-/m0/s1
別名:PHENYLACETYL LACTIVICIN
定義日:2006-12-23
最終更新日:2024-09-27
識別子（ID）:(2E)-2-({(2S)-2-carboxy-2-[(phenoxyacetyl)amino]ethoxy}imino)pentanedioic acid
SXV
SXV
表記:N~3~-[(2S)-2-hydroxy-3,3-dimethyl-4-(phosphonooxy)butanoyl]-N-{2-[(3-oxobutyl)sulfanyl]ethyl}-beta-alaninamide
組成式:C15 H29 N2 O8 P S
SMILES:O=C(NCCSCCC(=O)C)CCNC(=O)C(O)C(C)(C)COP(=O)(O)O
InChi:InChI=1S/C15H29N2O8PS/c1-11(18)5-8-27-9-7-16-12(19)4-6-17-14(21)13(20)15(2,3)10-25-26(22,23)24/h13,20H,4-10H2,1-3H3,(H,16,19)(H,17,21)(H2,22,23,24)/t13-/m1/s1
定義日:2009-04-01
最終更新日:2024-09-27
識別子（ID）:N~3~-[(2S)-2-hydroxy-3,3-dimethyl-4-(phosphonooxy)butanoyl]-N-{2-[(3-oxobutyl)sulfanyl]ethyl}-beta-alaninamide
TN7
TN7
表記:ethyl hydrogen ethylamidophosphate
組成式:C4 H12 N O3 P
SMILES:O=P(O)(OCC)NCC
InChi:InChI=1S/C4H12NO3P/c1-3-5-9(6,7)8-4-2/h3-4H2,1-2H3,(H2,5,6,7)
定義日:2009-05-12
最終更新日:2024-09-27
識別子（ID）:ethyl hydrogen ethylamidophosphate
BCX
BCX
表記:(3R)-3-amino-4-sulfanylbutanoic acid
組成式:C4 H9 N O2 S
SMILES:O=C(O)CC(N)CS
InChi:InChI=1S/C4H9NO2S/c5-3(2-8)1-4(6)7/h3,8H,1-2,5H2,(H,6,7)/t3-/m1/s1
定義日:2001-06-05
最終更新日:2024-09-27
識別子（ID）:(3R)-3-amino-4-sulfanylbutanoic acid
URR
URR
表記:N~2~-(ethoxycarbonyl)-N-{(1S,2S)-1-hydroxy-3-[(3S)-2-oxopyrrolidin-3-yl]-1-sulfanylpropan-2-yl}-L-leucinamide
組成式:C24 H37 N3 O9 S2
SMILES:CC(C)CC(NC(=O)OCC(C)(C)S(=O)c1ccccc1)C(=O)NC(CC1CCNC1=O)C(O)S(=O)(=O)O
InChi:InChI=1S/C24H37N3O9S2/c1-15(2)12-18(27-23(31)36-14-24(3,4)37(32)17-8-6-5-7-9-17)21(29)26-19(22(30)38(33,34)35)13-16-10-11-25-20(16)28/h5-9,15-16,18-19,22,30H,10-14H2,1-4H3,(H,25,28)(H,26,29)(H,27,31)(H,33,34,35)/t16-,18-,19-,22-,37?/m0/s1
定義日:2022-08-23
最終更新日:2024-09-27
公開日:2022-09-07
識別子（ID）:(1S,2S)-2-[(N-{[2-(benzenesulfinyl)-2-methylpropoxy]carbonyl}-L-leucyl)amino]-1-hydroxy-3-[(3S)-2-oxopyrrolidin-3-yl]propane-1-sulfonic acid
NH2
NH2
表記:AMINO GROUP
組成式:H2 N
SMILES:N
InChi:InChI=1S/H3N/h1H3
定義日:1999-07-08
最終更新日:2024-09-27
公開日:2021-04-14
識別子（ID）:ammonia
MNL
MNL
表記:4,N-DIMETHYLNORLEUCINE
組成式:C8 H17 N O2
SMILES:O=C(O)C(NC)CC(CC)C
InChi:InChI=1S/C8H17NO2/c1-4-6(2)5-7(9-3)8(10)11/h6-7,9H,4-5H2,1-3H3,(H,10,11)/t6-,7+/m1/s1
定義日:1999-07-08
最終更新日:2024-09-27
識別子（ID）:(4R)-N,4-dimethyl-L-norleucine
AKK
AKK
表記:(1Z)-prop-1-en-1-amine
組成式:C3 H7 N
SMILES:C(=CN)C
InChi:InChI=1S/C3H7N/c1-2-3-4/h2-3H,4H2,1H3/b3-2-
定義日:2011-03-25
最終更新日:2024-09-27
識別子（ID）:(1Z)-prop-1-en-1-amine
T6V
T6V
表記:N-[(3S)-1,1-dioxo-2,3-dihydro-1H-1lambda~6~-thiophen-3-yl]-N-phenylacetamide
組成式:C12 H13 N O3 S
SMILES:c1cc(ccc1)N(C(C)=O)C2C=CS(C2)(=O)=O
InChi:InChI=1S/C12H13NO3S/c1-10(14)13(11-5-3-2-4-6-11)12-7-8-17(15,16)9-12/h2-8,12H,9H2,1H3/t12-/m0/s1
定義日:2020-03-16
最終更新日:2024-09-27
公開日:2020-03-25
識別子（ID）:N-[(3S)-1,1-dioxo-2,3-dihydro-1H-1lambda~6~-thiophen-3-yl]-N-phenylacetamide
NH3
NH3
表記:AMMONIA
組成式:H3 N
SMILES:N
InChi:InChI=1S/H3N/h1H3
定義日:1999-09-30
最終更新日:2024-09-27
識別子（ID）:ammonia

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