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DH4
DH4
表記:2-[(1R)-1-{[(E)-azepan-1-ylmethylidene]amino}-2-oxoethyl]-5,5-dimethyl-1,3-thiazolidine-4-carboxylic acid
組成式:C15 H25 N3 O3 S
SMILES:O=C(O)C1NC(SC1(C)C)C(/N=C/N2CCCCCC2)C=O
InChi:InChI=1S/C15H25N3O3S/c1-15(2)12(14(20)21)17-13(22-15)11(9-19)16-10-18-7-5-3-4-6-8-18/h9-13,17H,3-8H2,1-2H3,(H,20,21)/b16-10+/t11-,12?,13?/m1/s1
別名:Mecillinam, bound form
定義日:2010-06-25
最終更新日:2024-09-27
識別子（ID）:2-[(1R)-1-{[(E)-azepan-1-ylmethylidene]amino}-2-oxoethyl]-5,5-dimethyl-1,3-thiazolidine-4-carboxylic acid
DH9
DH9
表記:(2S,3S,5S)-5-[(N-FORMYL-L-LEUCYL)OXY]-2-HEXYL-3-HYDROXYHEXADECANOIC ACID
組成式:C29 H55 N O6
SMILES:O=C(OC(CC(O)C(C(=O)O)CCCCCC)CCCCCCCCCCC)C(NC=O)CC(C)C
InChi:InChI=1S/C29H55NO6/c1-5-7-9-11-12-13-14-15-16-18-24(36-29(35)26(30-22-31)20-23(3)4)21-27(32)25(28(33)34)19-17-10-8-6-2/h22-27,32H,5-21H2,1-4H3,(H,30,31)(H,33,34)/t24-,25-,26-,27-/m0/s1
定義日:2007-06-06
最終更新日:2024-09-27
識別子（ID）:(2S,3S,5S)-5-[(N-formyl-L-leucyl)oxy]-2-hexyl-3-hydroxyhexadecanoic acid
DHA
DHA
表記:2-AMINO-ACRYLIC ACID
組成式:C3 H5 N O2
SMILES:O=C(O)C(=C)N
InChi:InChI=1S/C3H5NO2/c1-2(4)3(5)6/h1,4H2,(H,5,6)
別名:2,3-DIDEHYDROALANINE
定義日:1999-11-22
最終更新日:2024-09-27
識別子（ID）:2-aminoprop-2-enoic acid
DHC
DHC
表記:CAFFEIC ACID
組成式:C9 H8 O4
SMILES:O=C(O)C=Cc1cc(O)c(O)cc1
InChi:InChI=1S/C9H8O4/c10-7-3-1-6(5-8(7)11)2-4-9(12)13/h1-5,10-11H,(H,12,13)/b4-2+
別名:3,4-DIHYDROXYCINNAMIC ACID
定義日:2002-01-09
最終更新日:2024-09-27
識別子（ID）:(2E)-3-(3,4-dihydroxyphenyl)prop-2-enoic acid
2KK
2KK
表記:N~6~-(4-fluorobenzoyl)-L-lysine
組成式:C13 H17 F N2 O3
SMILES:O=C(c1ccc(F)cc1)NCCCCC(C(=O)O)N
InChi:InChI=1S/C13H17FN2O3/c14-10-6-4-9(5-7-10)12(17)16-8-2-1-3-11(15)13(18)19/h4-7,11H,1-3,8,15H2,(H,16,17)(H,18,19)/t11-/m0/s1
定義日:2013-11-21
最終更新日:2024-09-27
公開日:2014-10-01
識別子（ID）:N~6~-(4-fluorobenzoyl)-L-lysine
DHK
DHK
表記:3-DEHYDROSHIKIMATE
組成式:C7 H10 O5
SMILES:O=C(O)C1C=C(O)C(O)C(O)C1
InChi:InChI=1S/C7H10O5/c8-4-1-3(7(11)12)2-5(9)6(4)10/h1,3,5-6,8-10H,2H2,(H,11,12)/t3-,5-,6-/m1/s1
定義日:2002-01-22
最終更新日:2024-09-27
識別子（ID）:(1S,4S,5R)-3,4,5-trihydroxycyclohex-2-ene-1-carboxylic acid
2KP
2KP
表記:N~6~-(4-bromobenzoyl)-L-lysine
組成式:C13 H17 Br N2 O3
SMILES:O=C(c1ccc(Br)cc1)NCCCCC(C(=O)O)N
InChi:InChI=1S/C13H17BrN2O3/c14-10-6-4-9(5-7-10)12(17)16-8-2-1-3-11(15)13(18)19/h4-7,11H,1-3,8,15H2,(H,16,17)(H,18,19)/t11-/m0/s1
定義日:2013-11-21
最終更新日:2024-09-27
公開日:2014-10-01
識別子（ID）:N~6~-(4-bromobenzoyl)-L-lysine
2KT
2KT
表記:2-KETOBUTYRIC ACID
組成式:C4 H6 O3
SMILES:O=C(C(=O)O)CC
InChi:InChI=1S/C4H6O3/c1-2-3(5)4(6)7/h2H2,1H3,(H,6,7)
別名:2-OXOBUTANOIC ACID
定義日:2003-12-10
最終更新日:2024-09-27
識別子（ID）:2-oxobutanoic acid
DHS
DHS
表記:3-AMINO-4,5-DIHYDROXY-CYCLOHEX-1-ENECARBOXYLATE
組成式:C7 H10 N O4
SMILES:[O-]C(=O)C1=CC(N)C(O)C(O)C1
InChi:InChI=1S/C7H11NO4/c8-4-1-3(7(11)12)2-5(9)6(4)10/h1,4-6,9-10H,2,8H2,(H,11,12)/p-1/t4-,5+,6+/m0/s1
定義日:1999-07-08
最終更新日:2024-09-27
識別子（ID）:(3S,4R,5R)-3-amino-4,5-dihydroxycyclohex-1-ene-1-carboxylate
DHV
DHV
表記:3-hydroxy-D-valine
組成式:C5 H11 N O3
SMILES:O=C(O)C(N)C(O)(C)C
InChi:InChI=1S/C5H11NO3/c1-5(2,9)3(6)4(7)8/h3,9H,6H2,1-2H3,(H,7,8)/t3-/m0/s1
別名:D-beta-hydroxyvaline
定義日:2008-06-03
最終更新日:2024-09-27
識別子（ID）:3-hydroxy-D-valine
2KY
2KY
表記:(2S)-amino(cyclopentyl)ethanoic acid
組成式:C7 H13 N O2
SMILES:O=C(O)C(N)C1CCCC1
InChi:InChI=1S/C7H13NO2/c8-6(7(9)10)5-3-1-2-4-5/h5-6H,1-4,8H2,(H,9,10)/t6-/m0/s1
定義日:2013-11-22
最終更新日:2024-09-27
公開日:2018-02-28
識別子（ID）:(2S)-amino(cyclopentyl)ethanoic acid
2L0
2L0
表記:N-[(benzyloxy)carbonyl]-L-leucyl-N-[(2R,3S,4S)-1,3-dihydroxy-2,6-dimethylheptan-4-yl]-L-leucinamide
組成式:C29 H49 N3 O6
SMILES:O=C(NC(CC(C)C)C(O)C(C)CO)C(NC(=O)C(NC(=O)OCc1ccccc1)CC(C)C)CC(C)C
InChi:InChI=1S/C29H49N3O6/c1-18(2)13-23(26(34)21(7)16-33)30-27(35)24(14-19(3)4)31-28(36)25(15-20(5)6)32-29(37)38-17-22-11-9-8-10-12-22/h8-12,18-21,23-26,33-34H,13-17H2,1-7H3,(H,30,35)(H,31,36)(H,32,37)/t21-,23+,24+,25+,26+/m1/s1
別名:PHQ-LEU-LEU-LEU-EPOXYKETONE, bound form
定義日:2013-11-25
最終更新日:2024-09-27
公開日:2014-02-12
識別子（ID）:N-[(benzyloxy)carbonyl]-L-leucyl-N-[(2R,3S,4S)-1,3-dihydroxy-2,6-dimethylheptan-4-yl]-L-leucinamide
DI2
DI2
表記:AC-(D)PHE-PRO-BOROLYS-OH
組成式:C21 H33 B N4 O5
SMILES:O=C(NC(B(O)O)CCCCN)C2N(C(=O)C(NC(=O)C)Cc1ccccc1)CCC2
InChi:InChI=1S/C21H33BN4O5/c1-15(27)24-17(14-16-8-3-2-4-9-16)21(29)26-13-7-10-18(26)20(28)25-19(22(30)31)11-5-6-12-23/h2-4,8-9,17-19,30-31H,5-7,10-14,23H2,1H3,(H,24,27)(H,25,28)/t17-,18+,19+/m1/s1
定義日:1999-07-08
最終更新日:2024-09-27
識別子（ID）:N-acetyl-D-phenylalanyl-N-[(1R)-5-amino-1-(dihydroxyboranyl)pentyl]-L-prolinamide
2L4
2L4
表記:1-deoxy-1-({2,6-dioxo-5-[(E)-(2-oxoethylidene)amino]-1,2,3,6-tetrahydropyrimidin-4-yl}amino)-D-ribitol
組成式:C11 H16 N4 O7
SMILES:O=C1NC(NCC(O)C(O)C(O)CO)=C(N=CC=O)C(=O)N1
InChi:InChI=1S/C11H16N4O7/c16-2-1-12-7-9(14-11(22)15-10(7)21)13-3-5(18)8(20)6(19)4-17/h1-2,5-6,8,17-20H,3-4H2,(H3,13,14,15,21,22)/b12-1+/t5-,6+,8-/m0/s1
別名:5-(2-oxoethylideneamino)-6-D-ribitylaminouracil
定義日:2013-11-25
最終更新日:2024-09-27
公開日:2014-04-16
識別子（ID）:1-deoxy-1-({2,6-dioxo-5-[(E)-(2-oxoethylidene)amino]-1,2,3,6-tetrahydropyrimidin-4-yl}amino)-D-ribitol
2L5
2L5
表記:2-chloro-L-phenylalanine
組成式:C9 H10 Cl N O2
SMILES:Clc1ccccc1CC(C(=O)O)N
InChi:InChI=1S/C9H10ClNO2/c10-7-4-2-1-3-6(7)5-8(11)9(12)13/h1-4,8H,5,11H2,(H,12,13)/t8-/m0/s1
定義日:2013-11-25
最終更新日:2024-09-27
公開日:2014-10-15
識別子（ID）:2-chloro-L-phenylalanine
DI3
DI3
表記:AC-(D)PHE-PRO-BORO-N-BUTYL-AMIDINO-GLYCINE-OH
組成式:C22 H34 B N5 O5
SMILES:O=C(NC(B(O)O)CCCCC(=[N@H])N)C2N(C(=O)C(NC(=O)C)Cc1ccccc1)CCC2
InChi:InChI=1S/C22H34BN5O5/c1-15(29)26-17(14-16-8-3-2-4-9-16)22(31)28-13-7-10-18(28)21(30)27-19(23(32)33)11-5-6-12-20(24)25/h2-4,8-9,17-19,32-33H,5-7,10-14H2,1H3,(H3,24,25)(H,26,29)(H,27,30)/t17-,18+,19+/m1/s1
定義日:1999-07-08
最終更新日:2024-09-27
識別子（ID）:N-acetyl-D-phenylalanyl-N-[(1R,6Z)-6-amino-1-(dihydroxyboranyl)-6-iminohexyl]-L-prolinamide
DI4
DI4
表記:AC-(D)PHE-PRO-BOROHOMOLYS-OH
組成式:C22 H35 B N4 O5
SMILES:O=C(NC(B(O)O)CCCCCN)C2N(C(=O)C(NC(=O)C)Cc1ccccc1)CCC2
InChi:InChI=1S/C22H35BN4O5/c1-16(28)25-18(15-17-9-4-2-5-10-17)22(30)27-14-8-11-19(27)21(29)26-20(23(31)32)12-6-3-7-13-24/h2,4-5,9-10,18-20,31-32H,3,6-8,11-15,24H2,1H3,(H,25,28)(H,26,29)/t18-,19+,20+/m1/s1
定義日:1999-07-08
最終更新日:2024-09-27
識別子（ID）:N-acetyl-D-phenylalanyl-N-[(1R)-6-amino-1-(dihydroxyboranyl)hexyl]-L-prolinamide
2L6
2L6
表記:(3S,6R,8aS)-5-oxo-1,2,3,8a-tetrahydrospiro[indolizine-6,2'-pyrrolidine]-3-carboxylic acid
組成式:C12 H16 N2 O3
SMILES:O=C(O)C3N2C(=O)C1(NCCC1)C=CC2CC3
InChi:InChI=1S/C12H16N2O3/c15-10(16)9-3-2-8-4-6-12(5-1-7-13-12)11(17)14(8)9/h4,6,8-9,13H,1-3,5,7H2,(H,15,16)/t8-,9-,12+/m0/s1
定義日:2013-11-25
最終更新日:2024-09-27
公開日:2014-10-15
識別子（ID）:(3S,6R,8aS)-5-oxo-1,2,3,8a-tetrahydrospiro[indolizine-6,2'-pyrrolidine]-3-carboxylic acid
DI5
DI5
表記:AC-(D)PHE-PRO-BOROHOMOORNITHINE-OH
組成式:C20 H31 B N4 O5
SMILES:O=C(NC(B(O)O)CCCN)C2N(C(=O)C(NC(=O)C)Cc1ccccc1)CCC2
InChi:InChI=1S/C20H31BN4O5/c1-14(26)23-16(13-15-7-3-2-4-8-15)20(28)25-12-6-9-17(25)19(27)24-18(21(29)30)10-5-11-22/h2-4,7-8,16-18,29-30H,5-6,9-13,22H2,1H3,(H,23,26)(H,24,27)/t16-,17+,18+/m1/s1
定義日:1999-07-08
最終更新日:2024-09-27
識別子（ID）:N-acetyl-D-phenylalanyl-N-[(1R)-4-amino-1-(dihydroxyboranyl)butyl]-L-prolinamide
DI7
DI7
表記:2,6-dimethyl-L-tyrosine
組成式:C11 H15 N O3
SMILES:O=C(O)C(N)Cc1c(cc(O)cc1C)C
InChi:InChI=1S/C11H15NO3/c1-6-3-8(13)4-7(2)9(6)5-10(12)11(14)15/h3-4,10,13H,5,12H2,1-2H3,(H,14,15)/t10-/m0/s1
定義日:2014-12-10
最終更新日:2024-09-27
公開日:2015-01-14
識別子（ID）:2,6-dimethyl-L-tyrosine
DI8
DI8
表記:(3S)-1,2,3,4-tetrahydroisoquinoline-3-carboxylic acid
組成式:C10 H11 N O2
SMILES:O=C(O)C2NCc1ccccc1C2
InChi:InChI=1S/C10H11NO2/c12-10(13)9-5-7-3-1-2-4-8(7)6-11-9/h1-4,9,11H,5-6H2,(H,12,13)/t9-/m0/s1
定義日:2014-12-10
最終更新日:2024-09-27
公開日:2015-01-14
識別子（ID）:(3S)-1,2,3,4-tetrahydroisoquinoline-3-carboxylic acid
DIB
DIB
表記:3-AMINO-(DIMETHYLPROPYLAMINE)
組成式:C5 H14 N2
SMILES:NCCCN(C)C
InChi:InChI=1S/C5H14N2/c1-7(2)5-3-4-6/h3-6H2,1-2H3
定義日:2002-08-08
最終更新日:2024-09-27
識別子（ID）:N,N-dimethylpropane-1,3-diamine
DIC
DIC
表記:3,4-DICHLOROISOCOUMARIN
組成式:C9 H4 Cl2 O2
SMILES:ClC=1OC(=O)c2ccccc2C=1Cl
InChi:InChI=1S/C9H4Cl2O2/c10-7-5-3-1-2-4-6(5)9(12)13-8(7)11/h1-4H
定義日:1999-07-08
最終更新日:2024-09-27
識別子（ID）:3,4-dichloro-1H-isochromen-1-one
2LJ
2LJ
表記:1-deoxy-1-({2,6-dioxo-5-[(E)-propylideneamino]-1,2,3,6-tetrahydropyrimidin-4-yl}amino)-D-ribitol
組成式:C12 H20 N4 O6
SMILES:C1(=O)NC(NC(=C1N=CCC)NCC(O)C(O)C(O)CO)=O
InChi:InChI=1S/C12H20N4O6/c1-2-3-13-8-10(15-12(22)16-11(8)21)14-4-6(18)9(20)7(19)5-17/h3,6-7,9,17-20H,2,4-5H2,1H3,(H3,14,15,16,21,22)/b13-3+/t6-,7+,9-/m0/s1
別名:5-(2-oxopropylideneamino)-6-D-ribitylaminouracil
定義日:2013-11-27
最終更新日:2024-09-27
公開日:2014-04-16
識別子（ID）:1-deoxy-1-({2,6-dioxo-5-[(E)-propylideneamino]-1,2,3,6-tetrahydropyrimidin-4-yl}amino)-D-ribitol
DIK
DIK
表記:5-{[4-(5-methyl-3-oxohex-4-en-1-yl)phenyl]amino}-5-oxopentanoic acid
組成式:C18 H23 N O4
SMILES:O=C(O)CCCC(=O)Nc1ccc(cc1)CCC(=O)C=C(/C)C
InChi:InChI=1S/C18H23NO4/c1-13(2)12-16(20)11-8-14-6-9-15(10-7-14)19-17(21)4-3-5-18(22)23/h6-7,9-10,12H,3-5,8,11H2,1-2H3,(H,19,21)(H,22,23)
定義日:2008-12-31
最終更新日:2024-09-27
識別子（ID）:5-{[4-(5-methyl-3-oxohex-4-en-1-yl)phenyl]amino}-5-oxopentanoic acid

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