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AJE
AJE
表記:(3S,4R)-4-amino-1-(3-carboxypropanoyl)pyrrolidine-3-carboxylic acid
組成式:C9 H14 N2 O5
SMILES:O=C(N1CC(C(=O)O)C(N)C1)CCC(=O)O
InChi:InChI=1S/C9H14N2O5/c10-6-4-11(3-5(6)9(15)16)7(12)1-2-8(13)14/h5-6H,1-4,10H2,(H,13,14)(H,15,16)/t5-,6-/m0/s1
定義日:2015-02-04
最終更新日:2024-09-27
公開日:2015-09-09
識別子（ID）:(3S,4R)-4-amino-1-(3-carboxypropanoyl)pyrrolidine-3-carboxylic acid
AJF
AJF
表記:methyl (2S)-2-[(3-ethanoylphenyl)carbonylamino]-3-phenyl-propanoate
組成式:C19 H19 N O4
SMILES:COC(=O)[CH](Cc1ccccc1)NC(=O)c2cccc(c2)C(C)=O
InChi:InChI=1S/C19H19NO4/c1-13(21)15-9-6-10-16(12-15)18(22)20-17(19(23)24-2)11-14-7-4-3-5-8-14/h3-10,12,17H,11H2,1-2H3,(H,20,22)/t17-/m0/s1
定義日:2023-05-16
最終更新日:2024-09-27
公開日:2024-05-15
識別子（ID）:methyl (2~{S})-2-[(3-ethanoylphenyl)carbonylamino]-3-phenyl-propanoate
OHD
OHD
表記:{(4Z)-2-[(1S)-1-aminoethyl]-4-[(3-chloro-4-hydroxyphenyl)methylidene]-5-oxo-4,5-dihydro-1H-imidazol-1-yl}acetic acid
組成式:C14 H14 Cl N3 O4
SMILES:NC(C)C1=N/C(C(N1CC(O)=O)=O)=Cc2ccc(c(c2)Cl)O
InChi:InChI=1S/C14H14ClN3O4/c1-7(16)13-17-10(14(22)18(13)6-12(20)21)5-8-2-3-11(19)9(15)4-8/h2-5,7,19H,6,16H2,1H3,(H,20,21)/b10-5-/t7-/m0/s1
別名:PEPTIDE DERIVED CHROMOPHORE
定義日:2019-06-25
最終更新日:2024-09-27
公開日:2019-08-07
識別子（ID）:{(4Z)-2-[(1S)-1-aminoethyl]-4-[(3-chloro-4-hydroxyphenyl)methylidene]-5-oxo-4,5-dihydro-1H-imidazol-1-yl}acetic acid
OHI
OHI
表記:3-(2-OXO-2H-IMIDAZOL-4-YL)-L-ALANINE
組成式:C6 H7 N3 O3
SMILES:O=C1N=C(C=N1)CC(N)C(=O)O
InChi:InChI=1S/C6H7N3O3/c7-4(5(10)11)1-3-2-8-6(12)9-3/h2,4H,1,7H2,(H,10,11)/t4-/m0/s1
定義日:2007-07-10
最終更新日:2024-09-27
識別子（ID）:3-(2-oxo-2H-imidazol-4-yl)-L-alanine
OHO
OHO
表記:CYCLOHEXANE AMINOCARBOXYLIC ACID
組成式:C7 H13 N O2
SMILES:O=C(O)NC1CCCCC1
InChi:InChI=1S/C7H13NO2/c9-7(10)8-6-4-2-1-3-5-6/h6,8H,1-5H2,(H,9,10)
定義日:1999-07-08
最終更新日:2024-09-27
識別子（ID）:cyclohexylcarbamic acid
OHS
OHS
表記:O-(CARBOXYSULFANYL)-4-OXO-L-HOMOSERINE
組成式:C5 H7 N O6 S
SMILES:O=C(O)SOC(=O)CC(N)C(=O)O
InChi:InChI=1S/C5H7NO6S/c6-2(4(8)9)1-3(7)12-13-5(10)11/h2H,1,6H2,(H,8,9)(H,10,11)/t2-/m1/s1
定義日:2005-02-02
最終更新日:2024-09-27
識別子（ID）:O-(carboxysulfanyl)-4-oxo-D-homoserine
OHY
OHY
表記:6-chloro-7-(2-fluoro-6-hydroxyphenyl)-4-(4-propanoylpiperazin-1-yl)-1-[2-(propan-2-yl)phenyl]quinazolin-2(1H)-one
組成式:C30 H30 Cl F N4 O3
SMILES:CC(C)c1c(cccc1)N3c2cc(c(cc2C(=NC3=O)N4CCN(CC4)C(CC)=O)Cl)c5c(F)cccc5O
InChi:InChI=1S/C30H30ClFN4O3/c1-4-27(38)34-12-14-35(15-13-34)29-21-16-22(31)20(28-23(32)9-7-11-26(28)37)17-25(21)36(30(39)33-29)24-10-6-5-8-19(24)18(2)3/h5-11,16-18,37H,4,12-15H2,1-3H3
定義日:2019-06-25
最終更新日:2024-09-27
公開日:2019-12-25
識別子（ID）:6-chloro-7-(2-fluoro-6-hydroxyphenyl)-4-(4-propanoylpiperazin-1-yl)-1-[2-(propan-2-yl)phenyl]quinazolin-2(1H)-one
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
OIB
OIB
表記:hydroxylated gamma-amino valeroyl moiety
組成式:C6 H13 N O5
SMILES:CO[CH](CN)[CH](O)[CH](O)C(O)=O
InChi:InChI=1S/C6H13NO5/c1-12-3(2-7)4(8)5(9)6(10)11/h3-5,8-9H,2,7H2,1H3,(H,10,11)/t3-,4-,5-/m0/s1
別名:(2~{S},3~{R},4~{S})-5-azanyl-4-methoxy-2,3-bis(oxidanyl)pentanoic acid
定義日:2022-09-08
最終更新日:2024-09-27
公開日:2023-08-16
識別子（ID）:(2~{S},3~{R},4~{S})-5-azanyl-4-methoxy-2,3-bis(oxidanyl)pentanoic acid
OIC
OIC
表記:OCTAHYDROINDOLE-2-CARBOXYLIC ACID
組成式:C9 H15 N O2
SMILES:O=C(O)C1NC2CCCCC2C1
InChi:InChI=1S/C9H15NO2/c11-9(12)8-5-6-3-1-2-4-7(6)10-8/h6-8,10H,1-5H2,(H,11,12)/t6-,7-,8-/m0/s1
定義日:1999-07-08
最終更新日:2024-09-27
識別子（ID）:(2S,3aS,7aS)-octahydro-1H-indole-2-carboxylic acid
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
AKP
AKP
表記:N-(PYRAZIN-2-YLCARBONYL)LEUCYLISOLEUCYL-N~1~-{1-[2-({1-CARBOXY-2-[4-(PHOSPHONOOXY)PHENYL]ETHYL}AMINO)-1,1-DIHYDROXY-2-OXOETHYL]BUT-3-ENYL}-3-CYCLOHEXYLALANINAMIDE
組成式:C41 H60 N7 O13 P
SMILES:O=C(NC(C(=O)NC(C(=O)NC(C(=O)NC(C(O)(O)C(=O)NC(C(=O)O)Cc1ccc(OP(=O)(O)O)cc1)CC=C)CC2CCCCC2)C(C)CC)CC(C)C)c3nccnc3
InChi:InChI=1S/C41H60N7O13P/c1-6-11-33(41(56,57)40(55)46-31(39(53)54)22-27-14-16-28(17-15-27)61-62(58,59)60)47-35(49)30(21-26-12-9-8-10-13-26)45-38(52)34(25(5)7-2)48-36(50)29(20-24(3)4)44-37(51)32-23-42-18-19-43-32/h6,14-19,23-26,29-31,33-34,56-57H,1,7-13,20-22H2,2-5H3,(H,44,51)(H,45,52)(H,46,55)(H,47,49)(H,48,50)(H,53,54)(H2,58,59,60)/t25-,29-,30-,31-,33-,34-/m0/s1
定義日:2004-08-30
最終更新日:2024-09-27
識別子（ID）:N-(pyrazin-2-ylcarbonyl)-L-leucyl-L-isoleucyl-N-{(1S)-1-[2-({(1S)-1-carboxy-2-[4-(phosphonooxy)phenyl]ethyl}amino)-1,1-dihydroxy-2-oxoethyl]but-3-en-1-yl}-3-cyclohexyl-L-alaninamide
AKR
AKR
表記:ACRYLIC ACID
組成式:C3 H4 O2
SMILES:O=C(O)C=C
InChi:InChI=1S/C3H4O2/c1-2-3(4)5/h2H,1H2,(H,4,5)
定義日:2000-11-28
最終更新日:2024-09-27
識別子（ID）:prop-2-enoic acid
OIL
OIL
表記:(2S,3S)-2-hydroxy-3-methylpentanoic acid
組成式:C6 H12 O3
SMILES:O=C(O)C(O)C(C)CC
InChi:InChI=1S/C6H12O3/c1-3-4(2)5(7)6(8)9/h4-5,7H,3H2,1-2H3,(H,8,9)/t4-,5-/m0/s1
定義日:2011-01-13
最終更新日:2024-09-27
識別子（ID）:(2S,3S)-2-hydroxy-3-methylpentanoic acid
OIM
OIM
表記:[(4Z)-2-{(2R,5R)-2-[(1S,2S)-1-amino-2-methylbutyl]-2-hydroxy-5-methyl-2,5-dihydro-1,3-oxazol-4-yl}-4-(4-hydroxybenzylidene)-5-oxo-4,5-dihydro-1H-imidazol-1-yl]acetic acid
組成式:C21 H26 N4 O6
SMILES:O=C(O)CN2C(=N/C(=Cc1ccc(O)cc1)C2=O)C3=NC(O)(OC3C)C(N)C(C)CC
InChi:InChI=1S/C21H26N4O6/c1-4-11(2)18(22)21(30)24-17(12(3)31-21)19-23-15(20(29)25(19)10-16(27)28)9-13-5-7-14(26)8-6-13/h5-9,11-12,18,26,30H,4,10,22H2,1-3H3,(H,27,28)/b15-9-/t11-,12+,18-,21+/m0/s1
別名:PEPTIDE DERIVED CHROMOPHORE
定義日:2014-04-30
最終更新日:2024-09-27
公開日:2014-07-08
識別子（ID）:[(4Z)-2-{(2R,5R)-2-[(1S,2S)-1-amino-2-methylbutyl]-2-hydroxy-5-methyl-2,5-dihydro-1,3-oxazol-4-yl}-4-(4-hydroxybenzylidene)-5-oxo-4,5-dihydro-1H-imidazol-1-yl]acetic acid
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
OIW
OIW
表記:(2~{S},3~{S},4~{R})-cyclohex-5-ene-1,2,3,4-tetrol
組成式:C6 H10 O4
SMILES:O[CH]1C=C[CH](O)[CH](O)[CH]1O
InChi:InChI=1S/C6H10O4/c7-3-1-2-4(8)6(10)5(3)9/h1-10H/t3-,4+,5-,6-/m0/s1
別名:D-carbaxylosyl chloride
定義日:2022-09-08
最終更新日:2024-09-27
公開日:2024-03-13
識別子（ID）:(1~{S},2~{S},3~{S},4~{R})-cyclohex-5-ene-1,2,3,4-tetrol
2LR
2LR
表記:N-[(benzyloxy)carbonyl]-L-leucyl-N-{(1R,2S)-1-hydroxy-4-methyl-1-[(2R)-2-methyloxiran-2-yl]pentan-2-yl}-L-leucinamide
組成式:C29 H47 N3 O6
SMILES:O=C(OCc1ccccc1)NC(C(=O)NC(C(=O)NC(C(O)C2(OC2)C)CC(C)C)CC(C)C)CC(C)C
InChi:InChI=1S/C29H47N3O6/c1-18(2)13-22(25(33)29(7)17-38-29)30-26(34)23(14-19(3)4)31-27(35)24(15-20(5)6)32-28(36)37-16-21-11-9-8-10-12-21/h8-12,18-20,22-25,33H,13-17H2,1-7H3,(H,30,34)(H,31,35)(H,32,36)/t22-,23-,24-,25+,29+/m0/s1
別名:PHQ-LEU-LEU-LEU-EPOXYKETONE, unbound form
定義日:2013-11-28
最終更新日:2024-09-27
公開日:2014-02-12
識別子（ID）:N-[(benzyloxy)carbonyl]-L-leucyl-N-{(1R,2S)-1-hydroxy-4-methyl-1-[(2R)-2-methyloxiran-2-yl]pentan-2-yl}-L-leucinamide
2LT
2LT
表記:3,5-dichloro-L-tyrosine
組成式:C9 H9 Cl2 N O3
SMILES:Clc1cc(cc(Cl)c1O)CC(C(=O)O)N
InChi:InChI=1S/C9H9Cl2NO3/c10-5-1-4(2-6(11)8(5)13)3-7(12)9(14)15/h1-2,7,13H,3,12H2,(H,14,15)/t7-/m0/s1
定義日:2013-12-18
最終更新日:2024-09-27
公開日:2014-09-24
識別子（ID）:3,5-dichloro-L-tyrosine
OJ1
OJ1
表記:1-{4-[7-chloro-6-(2-fluoro-6-hydroxyphenyl)-4-phenylphthalazin-1-yl]piperazin-1-yl}propan-1-one
組成式:C27 H24 Cl F N4 O2
SMILES:CCC(N1CCN(CC1)c2c5c(c(nn2)c3ccccc3)cc(c4c(cccc4F)O)c(Cl)c5)=O
InChi:InChI=1S/C27H24ClFN4O2/c1-2-24(35)32-11-13-33(14-12-32)27-19-16-21(28)20(25-22(29)9-6-10-23(25)34)15-18(19)26(30-31-27)17-7-4-3-5-8-17/h3-10,15-16,34H,2,11-14H2,1H3
定義日:2019-06-25
最終更新日:2024-09-27
公開日:2019-12-25
識別子（ID）:1-{4-[7-chloro-6-(2-fluoro-6-hydroxyphenyl)-4-phenylphthalazin-1-yl]piperazin-1-yl}propan-1-one
2LV
2LV
表記:N-[(benzyloxy)carbonyl]-L-leucyl-N-[(2S,3S)-2-hydroxy-5-methyl-1-oxo-1-(phenylamino)hexan-3-yl]-L-leucinamide
組成式:C33 H48 N4 O6
SMILES:O=C(Nc1ccccc1)C(O)C(NC(=O)C(NC(=O)C(NC(=O)OCc2ccccc2)CC(C)C)CC(C)C)CC(C)C
InChi:InChI=1S/C33H48N4O6/c1-21(2)17-26(29(38)32(41)34-25-15-11-8-12-16-25)35-30(39)27(18-22(3)4)36-31(40)28(19-23(5)6)37-33(42)43-20-24-13-9-7-10-14-24/h7-16,21-23,26-29,38H,17-20H2,1-6H3,(H,34,41)(H,35,39)(H,36,40)(H,37,42)/t26-,27-,28-,29-/m0/s1
別名:PHQ-Leu-Leu-Leu-ketoamide, bound form
定義日:2013-11-29
最終更新日:2024-09-27
公開日:2014-02-12
識別子（ID）:N-[(benzyloxy)carbonyl]-L-leucyl-N-[(2S,3S)-2-hydroxy-5-methyl-1-oxo-1-(phenylamino)hexan-3-yl]-L-leucinamide
OJ6
OJ6
表記:(1~{S},2~{S},3~{S},4~{R})-cyclohexane-1,2,3,4-tetrol
組成式:C6 H12 O4
SMILES:OC1CCC(O)C(O)C1O
InChi:InChI=1S/C6H12O4/c7-3-1-2-4(8)6(10)5(3)9/h3-10H,1-2H2/t3-,4+,5-,6-/m0/s1
定義日:2022-09-08
最終更新日:2024-09-27
公開日:2024-03-13
識別子（ID）:(1R,2S,3S,4S)-cyclohexane-1,2,3,4-tetrol
OJ8
OJ8
表記:(S)-[(2S)-6-phenoxy-1,2,3,4-tetrahydronaphthalen-2-yl](5-pyridin-2-yl-1,3-oxazol-2-yl)methanol
組成式:C25 H22 N2 O3
SMILES:n5c(c1oc(nc1)C(O)C4Cc3ccc(Oc2ccccc2)cc3CC4)cccc5
InChi:InChI=1S/C25H22N2O3/c28-24(25-27-16-23(30-25)22-8-4-5-13-26-22)19-10-9-18-15-21(12-11-17(18)14-19)29-20-6-2-1-3-7-20/h1-8,11-13,15-16,19,24,28H,9-10,14H2/t19-,24-/m0/s1
定義日:2010-08-31
最終更新日:2024-09-27
識別子（ID）:(S)-[(2S)-6-phenoxy-1,2,3,4-tetrahydronaphthalen-2-yl][5-(pyridin-2-yl)-1,3-oxazol-2-yl]methanol
2M1
2M1
表記:N-[(benzyloxy)carbonyl]-L-leucyl-N-[(3S)-5-methyl-1-(methylsulfonyl)hexan-3-yl]-L-leucinamide
組成式:C28 H47 N3 O6 S
SMILES:O=S(=O)(C)CCC(NC(=O)C(NC(=O)C(NC(=O)OCc1ccccc1)CC(C)C)CC(C)C)CC(C)C
InChi:InChI=1S/C28H47N3O6S/c1-19(2)15-23(13-14-38(7,35)36)29-26(32)24(16-20(3)4)30-27(33)25(17-21(5)6)31-28(34)37-18-22-11-9-8-10-12-22/h8-12,19-21,23-25H,13-18H2,1-7H3,(H,29,32)(H,30,33)(H,31,34)/t23-,24+,25+/m1/s1
別名:PHQ-Leu-Leu-Leu-vinylsulfone
定義日:2013-12-02
最終更新日:2024-09-27
公開日:2014-02-12
識別子（ID）:N-[(benzyloxy)carbonyl]-L-leucyl-N-[(3S)-5-methyl-1-(methylsulfonyl)hexan-3-yl]-L-leucinamide
OJK
OJK
表記:2-(aminomethyl)-5-chloranyl-benzene-1,4-diol
組成式:C7 H8 Cl N O2
SMILES:NCc1cc(O)c(Cl)cc1O
InChi:InChI=1S/C7H8ClNO2/c8-5-2-6(10)4(3-9)1-7(5)11/h1-2,10-11H,3,9H2
定義日:2021-03-22
最終更新日:2024-09-27
公開日:2021-03-31
識別子（ID）:2-(aminomethyl)-5-chloranyl-benzene-1,4-diol

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