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1QI
1QI
表記:(2R,4S,5S)-5-azanyl-6-methyl-4-oxidanyl-2-(phenylmethyl)heptanoic acid
組成式:C15 H23 N O3
SMILES:CC(C)[CH](N)[CH](O)C[CH](Cc1ccccc1)C(O)=O
InChi:InChI=1S/C15H23NO3/c1-10(2)14(16)13(17)9-12(15(18)19)8-11-6-4-3-5-7-11/h3-7,10,12-14,17H,8-9,16H2,1-2H3,(H,18,19)/t12-,13+,14+/m1/s1
定義日:2021-06-14
最終更新日:2023-11-03
公開日:2021-08-11
識別子（ID）:(2~{R},4~{S},5~{S})-5-azanyl-6-methyl-4-oxidanyl-2-(phenylmethyl)heptanoic acid
FZN
FZN
表記:(2S)-2-amino-6-{[(1Z)-1-{[(2R,3R,4S,5R)-5-({[(R)-{[(R)-{[(2R,3S,4R,5R)-5-(6-amino-9H-purin-9-yl)-3,4-dihydroxytetrahydrofuran-2-yl]methoxy}(hydroxy)phosphoryl]oxy}(hydroxy)phosphoryl]oxy}methyl)-3,4-dihydroxytetrahydrofuran-2-yl]sulfanyl}ethylidene]amino}hexanoic acid
組成式:C23 H37 N7 O15 P2 S
SMILES:O=P(O)(OCC3OC(n1c2ncnc(N)c2nc1)C(O)C3O)OP(=O)(O)OCC4OC(SC(=N/CCCCC(C(=O)O)N)C)C(O)C4O
InChi:InChI=1S/C23H37N7O15P2S/c1-10(26-5-3-2-4-11(24)22(35)36)48-23-18(34)16(32)13(44-23)7-42-47(39,40)45-46(37,38)41-6-12-15(31)17(33)21(43-12)30-9-29-14-19(25)27-8-28-20(14)30/h8-9,11-13,15-18,21,23,31-34H,2-7,24H2,1H3,(H,35,36)(H,37,38)(H,39,40)(H2,25,27,28)/b26-10-/t11-,12+,13+,15+,16+,17+,18+,21+,23+/m0/s1
定義日:2008-06-18
最終更新日:2023-11-03
識別子（ID）:(2S)-2-amino-6-{[(1Z)-1-{[(2R,3R,4S,5R)-5-({[(R)-{[(R)-{[(2R,3S,4R,5R)-5-(6-amino-9H-purin-9-yl)-3,4-dihydroxytetrahydrofuran-2-yl]methoxy}(hydroxy)phosphoryl]oxy}(hydroxy)phosphoryl]oxy}methyl)-3,4-dihydroxytetrahydrofuran-2-yl]sulfanyl}ethylidene]amino}hexanoic acid (non-preferred name)
1TQ
1TQ
表記:6-(FORMYLAMINO)-7-HYDROXY-L-TRYPTOPHAN
組成式:C12 H13 N3 O4
SMILES:O=C(O)C(N)Cc2c1ccc(c(O)c1nc2)NC=O
InChi:InChI=1S/C12H13N3O4/c13-8(12(18)19)3-6-4-14-10-7(6)1-2-9(11(10)17)15-5-16/h1-2,4-5,8,14,17H,3,13H2,(H,15,16)(H,18,19)/t8-/m0/s1
定義日:2006-08-22
最終更新日:2023-11-03
識別子（ID）:6-(formylamino)-7-hydroxy-L-tryptophan
G1X
G1X
表記:(2S)-2-azanyl-3-[3,4-bis(oxidanylidene)cyclohexa-1,5-dien-1-yl]propanoic acid
組成式:C9 H9 N O4
SMILES:N[CH](CC1=CC(=O)C(=O)C=C1)C(O)=O
InChi:InChI=1S/C9H9NO4/c10-6(9(13)14)3-5-1-2-7(11)8(12)4-5/h1-2,4,6H,3,10H2,(H,13,14)/t6-/m0/s1
別名:L-dopaquinone
定義日:2020-07-15
最終更新日:2023-11-03
公開日:2021-06-16
識別子（ID）:(2~{S})-2-azanyl-3-[3,4-bis(oxidanylidene)cyclohexa-1,5-dien-1-yl]propanoic acid
1TY
1TY
表記:3-{(3E)-4-HYDROXY-6-OXO-3-[(2-PHENYLETHYL)IMINO]CYCLOHEXA-1,4-DIEN-1-YL}ALANINE
組成式:C17 H18 N2 O4
SMILES:O=C2C=C(O)/C(=N/CCc1ccccc1)C=C2CC(C(=O)O)N
InChi:InChI=1S/C17H18N2O4/c18-13(17(22)23)8-12-9-14(16(21)10-15(12)20)19-7-6-11-4-2-1-3-5-11/h1-5,9-10,13,21H,6-8,18H2,(H,22,23)/b19-14+/t13-/m0/s1
定義日:2005-07-07
最終更新日:2023-11-03
識別子（ID）:3-{(3E)-4-hydroxy-6-oxo-3-[(2-phenylethyl)imino]cyclohexa-1,4-dien-1-yl}-L-alanine
1U8
1U8
表記:(3S)-3-amino-5-[(2,6-dimethylbenzoyl)oxy]-4-oxopentanoic acid
組成式:C14 H17 N O5
SMILES:O=C(O)CC(N)C(=O)COC(=O)c1c(cccc1C)C
InChi:InChI=1S/C14H17NO5/c1-8-4-3-5-9(2)13(8)14(19)20-7-11(16)10(15)6-12(17)18/h3-5,10H,6-7,15H2,1-2H3,(H,17,18)/t10-/m0/s1
定義日:2013-03-28
最終更新日:2023-11-03
公開日:2013-06-12
識別子（ID）:(3S)-3-amino-5-[(2,6-dimethylbenzoyl)oxy]-4-oxopentanoic acid
LGY
LGY
表記:(E)-N~6~-(4-oxobutylidene)-L-lysine
組成式:C10 H18 N2 O3
SMILES:O=C(O)C(N)CCCC/N=C/CCC=O
InChi:InChI=1S/C10H18N2O3/c11-9(10(14)15)5-1-2-6-12-7-3-4-8-13/h7-9H,1-6,11H2,(H,14,15)/b12-7+/t9-/m0/s1
定義日:2010-07-16
最終更新日:2023-11-03
識別子（ID）:(E)-N~6~-(4-oxobutylidene)-L-lysine
1WI
1WI
表記:1-[[4-fluoranyl-3-(3-oxidanylidene-4-pentan-3-yl-piperazin-1-yl)carbonyl-phenyl]methyl]quinazoline-2,4-dione
組成式:C25 H27 F N4 O4
SMILES:CCC(CC)N1CCN(CC1=O)C(=O)c2cc(CN3C(=O)NC(=O)c4ccccc34)ccc2F
InChi:InChI=1S/C25H27FN4O4/c1-3-17(4-2)29-12-11-28(15-22(29)31)24(33)19-13-16(9-10-20(19)26)14-30-21-8-6-5-7-18(21)23(32)27-25(30)34/h5-10,13,17H,3-4,11-12,14-15H2,1-2H3,(H,27,32,34)
定義日:2022-11-14
最終更新日:2023-11-03
公開日:2023-11-08
識別子（ID）:1-[[4-fluoranyl-3-(3-oxidanylidene-4-pentan-3-yl-piperazin-1-yl)carbonyl-phenyl]methyl]quinazoline-2,4-dione
LHC
LHC
表記:(2S)-2-amino-4-(4-amino-2-oxopyrimidin-1(2H)-yl)butanoic acid
組成式:C8 H12 N4 O3
SMILES:O=C1N=C(C=CN1CCC(C(=O)O)N)N
InChi:InChI=1S/C8H12N4O3/c9-5(7(13)14)1-3-12-4-2-6(10)11-8(12)15/h2,4-5H,1,3,9H2,(H,13,14)(H2,10,11,15)/t5-/m0/s1
定義日:2008-02-12
最終更新日:2023-11-03
識別子（ID）:(2S)-2-amino-4-(4-amino-2-oxopyrimidin-1(2H)-yl)butanoic acid
LHE
LHE
表記:N-[(2R,3S)-3-amino-2-hydroxy-5-methylhexyl]-L-norvaline
組成式:C12 H26 N2 O3
SMILES:O=C(O)C(NCC(O)C(N)CC(C)C)CCC
InChi:InChI=1S/C12H26N2O3/c1-4-5-10(12(16)17)14-7-11(15)9(13)6-8(2)3/h8-11,14-15H,4-7,13H2,1-3H3,(H,16,17)/t9-,10-,11+/m0/s1
定義日:2014-06-23
最終更新日:2023-11-03
公開日:2015-07-01
識別子（ID）:N-[(2R,3S)-3-amino-2-hydroxy-5-methylhexyl]-L-norvaline
LJ0
LJ0
表記:(1R,6S,7r)-N-(4-methylpyridin-3-yl)bicyclo[4.1.0]heptane-7-carboxamide
組成式:C14 H18 N2 O
SMILES:O=C(Nc1cnccc1C)C1C2CCCCC21
InChi:InChI=1S/C14H18N2O/c1-9-6-7-15-8-12(9)16-14(17)13-10-4-2-3-5-11(10)13/h6-8,10-11,13H,2-5H2,1H3,(H,16,17)/t10-,11+,13+
定義日:2023-08-15
最終更新日:2023-11-03
公開日:2023-11-08
識別子（ID）:(1R,6S,7r)-N-(4-methylpyridin-3-yl)bicyclo[4.1.0]heptane-7-carboxamide
LJO
LJO
表記:(3R)-3-cyano-N-(4-methylpyridin-3-yl)oxolane-3-carboxamide
組成式:C12 H13 N3 O2
SMILES:N#CC1(CCOC1)C(=O)Nc1cnccc1C
InChi:InChI=1S/C12H13N3O2/c1-9-2-4-14-6-10(9)15-11(16)12(7-13)3-5-17-8-12/h2,4,6H,3,5,8H2,1H3,(H,15,16)/t12-/m1/s1
定義日:2023-08-15
最終更新日:2023-11-03
公開日:2023-11-08
識別子（ID）:(3R)-3-cyano-N-(4-methylpyridin-3-yl)oxolane-3-carboxamide
1ZN
1ZN
表記:(2S,3S,4E,6E,8S,9S)-3-amino-9-methoxy-2,6,8-trimethyl-10-phenyldeca-4,6-dienoic acid
組成式:C20 H29 N O3
SMILES:O=C(O)C(C)C(N)/C=C/C(=C/C(C(OC)Cc1ccccc1)C)C
InChi:InChI=1S/C20H29NO3/c1-14(10-11-18(21)16(3)20(22)23)12-15(2)19(24-4)13-17-8-6-5-7-9-17/h5-12,15-16,18-19H,13,21H2,1-4H3,(H,22,23)/b11-10+,14-12+/t15-,16-,18-,19-/m0/s1
定義日:2008-12-11
最終更新日:2023-11-03
識別子（ID）:(2S,3S,4E,6E,8S,9S)-3-amino-9-methoxy-2,6,8-trimethyl-10-phenyldeca-4,6-dienoic acid
LKI
LKI
表記:3-chloro-N-(4-methylpyridin-3-yl)benzene-1-sulfonamide
組成式:C12 H11 Cl N2 O2 S
SMILES:O=S(=O)(Nc1cnccc1C)c1cccc(Cl)c1
InChi:InChI=1S/C12H11ClN2O2S/c1-9-5-6-14-8-12(9)15-18(16,17)11-4-2-3-10(13)7-11/h2-8,15H,1H3
定義日:2023-08-15
最終更新日:2023-11-03
公開日:2023-11-08
識別子（ID）:3-chloro-N-(4-methylpyridin-3-yl)benzene-1-sulfonamide
LKX
LKX
表記:2-(3-chlorophenyl)-N-(5-oxo-1,5-dihydro-4H-1,2,4-triazol-4-yl)acetamide
組成式:C10 H9 Cl N4 O2
SMILES:O=C1NN=CN1NC(=O)Cc1cccc(Cl)c1
InChi:InChI=1S/C10H9ClN4O2/c11-8-3-1-2-7(4-8)5-9(16)14-15-6-12-13-10(15)17/h1-4,6H,5H2,(H,13,17)(H,14,16)
定義日:2023-08-15
最終更新日:2023-11-03
公開日:2023-11-08
識別子（ID）:2-(3-chlorophenyl)-N-(5-oxo-1,5-dihydro-4H-1,2,4-triazol-4-yl)acetamide
LLP
LLP
表記:(2S)-2-amino-6-[[3-hydroxy-2-methyl-5-(phosphonooxymethyl)pyridin-4-yl]methylideneamino]hexanoic acid
組成式:C14 H22 N3 O7 P
SMILES:n1c(C)c(O)c(C=NCCCCC(N)C(=O)O)c(c1)COP(=O)(O)O
InChi:InChI=1S/C14H22N3O7P/c1-9-13(18)11(10(6-17-9)8-24-25(21,22)23)7-16-5-3-2-4-12(15)14(19)20/h6-7,12,18H,2-5,8,15H2,1H3,(H,19,20)(H2,21,22,23)/b16-7+/t12-/m0/s1
別名:N'-PYRIDOXYL-LYSINE-5'-MONOPHOSPHATE
定義日:1999-07-08
最終更新日:2023-11-03
識別子（ID）:(E)-N~6~-({3-hydroxy-2-methyl-5-[(phosphonooxy)methyl]pyridin-4-yl}methylidene)-L-lysine
LM0
LM0
表記:(3S)-N',2-diacetyl-1,2,3,4-tetrahydroisoquinoline-3-carbohydrazide
組成式:C14 H17 N3 O3
SMILES:CC(=O)NNC(=O)C1Cc2ccccc2CN1C(C)=O
InChi:InChI=1S/C14H17N3O3/c1-9(18)15-16-14(20)13-7-11-5-3-4-6-12(11)8-17(13)10(2)19/h3-6,13H,7-8H2,1-2H3,(H,15,18)(H,16,20)/t13-/m0/s1
定義日:2023-08-15
最終更新日:2023-11-03
公開日:2023-11-08
識別子（ID）:(3S)-N',2-diacetyl-1,2,3,4-tetrahydroisoquinoline-3-carbohydrazide
22G
22G
表記:N-[(2S)-2-amino-3-phenylpropyl]-L-tyrosine
組成式:C18 H22 N2 O3
SMILES:O=C(O)C(NCC(N)Cc1ccccc1)Cc2ccc(O)cc2
InChi:InChI=1S/C18H22N2O3/c19-15(10-13-4-2-1-3-5-13)12-20-17(18(22)23)11-14-6-8-16(21)9-7-14/h1-9,15,17,20-21H,10-12,19H2,(H,22,23)/t15-,17-/m0/s1
定義日:2013-08-23
最終更新日:2023-11-03
公開日:2014-01-15
識別子（ID）:N-[(2S)-2-amino-3-phenylpropyl]-L-tyrosine
22Q
22Q
表記:(3Z)-5-(2-methylpropyl)-3-(sulfanylmethylidene)pyrazine-2,6(1H,3H)-dione
組成式:C9 H12 N2 O2 S
SMILES:O=C1C(=N/C(C(=O)N1)=CS)CC(C)C
InChi:InChI=1S/C9H12N2O2S/c1-5(2)3-6-8(12)11-9(13)7(4-14)10-6/h4-5,14H,3H2,1-2H3,(H,11,12,13)/b7-4-
定義日:2014-03-12
最終更新日:2023-11-03
公開日:2015-05-20
識別子（ID）:(3Z)-5-(2-methylpropyl)-3-(sulfanylmethylidene)pyrazine-2,6(1H,3H)-dione
22W
22W
表記:2-[(1S,2S)-1-amino-2-methylbutyl]-4-(thioxomethylidene)-1,3-oxazol-5(4H)-one
組成式:C9 H12 N2 O2 S
SMILES:S=C=C1/N=C(OC1=O)C(N)C(C)CC
InChi:InChI=1S/C9H12N2O2S/c1-3-5(2)7(10)8-11-6(4-14)9(12)13-8/h5,7H,3,10H2,1-2H3/t5-,7-/m0/s1
定義日:2014-03-12
最終更新日:2023-11-03
公開日:2015-05-20
識別子（ID）:2-[(1S,2S)-1-amino-2-methylbutyl]-4-(thioxomethylidene)-1,3-oxazol-5(4H)-one
LO0
LO0
表記:N-[2-(2-methoxyphenoxy)ethyl]-2-oxo-2,3-dihydropyridine-4-carboxamide
組成式:C15 H16 N2 O4
SMILES:O=C(NCCOc1ccccc1OC)C1=CC=NC(=O)C1
InChi:InChI=1S/C15H16N2O4/c1-20-12-4-2-3-5-13(12)21-9-8-17-15(19)11-6-7-16-14(18)10-11/h2-7H,8-10H2,1H3,(H,17,19)
定義日:2023-08-15
最終更新日:2023-11-03
公開日:2023-11-08
識別子（ID）:N-[2-(2-methoxyphenoxy)ethyl]-2-oxo-2,3-dihydropyridine-4-carboxamide
LOV
LOV
表記:5-AMINO-4-HYDROXY-2-ISOPROPYL-7-METHYL-OCTANOIC ACID
組成式:C12 H25 N O3
SMILES:O=C(O)C(C(C)C)CC(O)C(N)CC(C)C
InChi:InChI=1S/C12H25NO3/c1-7(2)5-10(13)11(14)6-9(8(3)4)12(15)16/h7-11,14H,5-6,13H2,1-4H3,(H,15,16)/t9-,10-,11-/m0/s1
定義日:1999-07-08
最終更新日:2023-11-03
識別子（ID）:(2S,4S,5S)-5-amino-4-hydroxy-7-methyl-2-(propan-2-yl)octanoic acid
LP6
LP6
表記:6-piperidin-1-yl-L-norleucine
組成式:C11 H22 N2 O2
SMILES:O=C(O)C(N)CCCCN1CCCCC1
InChi:InChI=1S/C11H22N2O2/c12-10(11(14)15)6-2-5-9-13-7-3-1-4-8-13/h10H,1-9,12H2,(H,14,15)/t10-/m0/s1
定義日:2009-01-06
最終更新日:2023-11-03
識別子（ID）:6-piperidin-1-yl-L-norleucine
LPL
LPL
表記:LEU-HYDROXYETHYLENE-LEU
組成式:C13 H27 N O3
SMILES:O=C(O)C(CC(C)C)CC(O)C(N)CC(C)C
InChi:InChI=1S/C13H27NO3/c1-8(2)5-10(13(16)17)7-12(15)11(14)6-9(3)4/h8-12,15H,5-7,14H2,1-4H3,(H,16,17)/t10-,11+,12+/m1/s1
定義日:1999-07-08
最終更新日:2023-11-03
識別子（ID）:(2R,4S,5S)-5-amino-4-hydroxy-7-methyl-2-(2-methylpropyl)octanoic acid
3QN
3QN
表記:(E)-N~6~-{2-hydroxy-3-methyl-6-[(phosphonooxy)methyl]benzylidene}-L-lysine
組成式:C15 H23 N2 O7 P
SMILES:O=C(O)C(N)CCCC/N=C/c1c(ccc(c1O)C)COP(=O)(O)O
InChi:InChI=1S/C15H23N2O7P/c1-10-5-6-11(9-24-25(21,22)23)12(14(10)18)8-17-7-3-2-4-13(16)15(19)20/h5-6,8,13,18H,2-4,7,9,16H2,1H3,(H,19,20)(H2,21,22,23)/b17-8+/t13-/m0/s1
定義日:2011-02-09
最終更新日:2023-11-03
識別子（ID）:(E)-N~6~-{2-hydroxy-3-methyl-6-[(phosphonooxy)methyl]benzylidene}-L-lysine

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