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MPA
MPA
表記:(1R)-MENTHYL HEXYL PHOSPHONATE GROUP
組成式:C16 H33 O3 P
SMILES:O=P(OC1CC(CCC1C(C)C)C)(O)CCCCCC
InChi:InChI=1S/C16H33O3P/c1-5-6-7-8-11-20(17,18)19-16-12-14(4)9-10-15(16)13(2)3/h13-16H,5-12H2,1-4H3,(H,17,18)/t14-,15+,16-/m1/s1
定義日:1999-07-08
最終更新日:2024-09-27
識別子（ID）:(1R,2S,5R)-5-methyl-2-(1-methylethyl)cyclohexyl hydrogen (S)-hexylphosphonate
SEE
SEE
表記:trihydroxy(L-serinato-kappaO~3~)borate(1-)
組成式:C3 H9 B N O6
SMILES:O=C(O)C(N)CO[B-](O)(O)O
InChi:InChI=1S/C3H9BNO6/c5-2(3(6)7)1-11-4(8,9)10/h2,8-10H,1,5H2,(H,6,7)/q-1/t2-/m0/s1
定義日:2009-03-03
最終更新日:2024-09-27
識別子（ID）:trihydroxy(L-serinato-kappaO~3~)borate(1-)
T81
T81
表記:1-{4-[(5-bromothiophen-2-yl)methyl]piperazin-1-yl}ethan-1-one
組成式:C11 H15 Br N2 O S
SMILES:N1(CCN(CC1)C(C)=O)Cc2ccc(s2)Br
InChi:InChI=1S/C11H15BrN2OS/c1-9(15)14-6-4-13(5-7-14)8-10-2-3-11(12)16-10/h2-3H,4-8H2,1H3
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-[(5-bromothiophen-2-yl)methyl]piperazin-1-yl}ethan-1-one
SEF
SEF
表記:ethyl (R)-{10-[(hept-6-yn-1-ylcarbamoyl)oxy]decyl}phosphonofluoridate
組成式:C20 H37 F N O4 P
SMILES:FP(=O)(OCC)CCCCCCCCCCOC(=O)NCCCCCC#C
InChi:InChI=1S/C20H37FNO4P/c1-3-5-6-11-14-17-22-20(23)25-18-15-12-9-7-8-10-13-16-19-27(21,24)26-4-2/h1H,4-19H2,2H3,(H,22,23)/t27-/m1/s1
定義日:2013-03-22
最終更新日:2024-09-27
公開日:2013-04-10
識別子（ID）:ethyl (R)-{10-[(hept-6-yn-1-ylcarbamoyl)oxy]decyl}phosphonofluoridate
OC0
OC0
表記:[(1~{R})-1-[2-[(5-azanyl-1,3,4-thiadiazol-2-yl)sulfanyl]ethanoylamino]-2-(4-carboxy-1,2,3-triazol-1-yl)ethyl]-$l^{3}-oxidanyl-bis(oxidanyl)boron
組成式:C9 H13 B N7 O6 S2
SMILES:O=C(CSc1nnc(N)s1)NC(Cn1cc(nn1)C(=O)O)[B-](O)(O)O
InChi:InChI=1S/C9H13BN7O6S2/c11-8-14-15-9(25-8)24-3-6(18)12-5(10(21,22)23)2-17-1-4(7(19)20)13-16-17/h1,5,21-23H,2-3H2,(H2,11,14)(H,12,18)(H,19,20)/q-1/t5-/m0/s1
定義日:2022-04-27
最終更新日:2024-09-27
公開日:2022-12-14
識別子（ID）:[(1R)-1-{2-[(5-amino-1,3,4-thiadiazol-2-yl)sulfanyl]acetamido}-2-(4-carboxy-1H-1,2,3-triazol-1-yl)ethyl](trihydroxido)borate(1-)
MPC
MPC
表記:(1S)-MENTHYL HEXYL PHOSPHONATE GROUP
組成式:C16 H33 O3 P
SMILES:O=P(OC1CC(CCC1C(C)C)C)(O)CCCCCC
InChi:InChI=1S/C16H33O3P/c1-5-6-7-8-11-20(17,18)19-16-12-14(4)9-10-15(16)13(2)3/h13-16H,5-12H2,1-4H3,(H,17,18)/t14-,15+,16-/m0/s1
定義日:1999-07-08
最終更新日:2024-09-27
識別子（ID）:(1S,2R,5S)-5-methyl-2-(1-methylethyl)cyclohexyl hydrogen (S)-hexylphosphonate
OSE
OSE
表記:O-SULFO-L-SERINE
組成式:C3 H7 N O6 S
SMILES:O=S(=O)(O)OCC(C(=O)O)N
InChi:InChI=1S/C3H7NO6S/c4-2(3(5)6)1-10-11(7,8)9/h2H,1,4H2,(H,5,6)(H,7,8,9)/t2-/m0/s1
定義日:2005-02-24
最終更新日:2024-09-27
識別子（ID）:O-sulfo-L-serine
Q0I
Q0I
表記:(4R)-6-chloro-N-(isoquinolin-4-yl)-N-propanoyl-3,4-dihydro-2H-1-benzopyran-4-carboxamide
組成式:C22 H19 Cl N2 O3
SMILES:CCC(=O)N(c1cncc2ccccc21)C(=O)C1CCOc2ccc(Cl)cc21
InChi:InChI=1S/C22H19ClN2O3/c1-2-21(26)25(19-13-24-12-14-5-3-4-6-16(14)19)22(27)17-9-10-28-20-8-7-15(23)11-18(17)20/h3-8,11-13,17H,2,9-10H2,1H3/t17-/m1/s1
定義日:2023-08-18
最終更新日:2024-09-27
公開日:2023-11-08
識別子（ID）:(4R)-6-chloro-N-(isoquinolin-4-yl)-N-propanoyl-3,4-dihydro-2H-1-benzopyran-4-carboxamide
T84
T84
表記:1-{4-[(thiophen-3-yl)methyl]piperazin-1-yl}ethan-1-one
組成式:C11 H16 N2 O S
SMILES:N1(CCN(CC1)C(C)=O)Cc2ccsc2
InChi:InChI=1S/C11H16N2OS/c1-10(14)13-5-3-12(4-6-13)8-11-2-7-15-9-11/h2,7,9H,3-6,8H2,1H3
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-[(thiophen-3-yl)methyl]piperazin-1-yl}ethan-1-one
L2Y
L2Y
表記:(S)-N-[(1E)-1-(diethylamino)ethylidene]-P-methylphosphonamidic fluoride
組成式:C7 H16 F N2 O P
SMILES:CCN(CC)C(C)=NP(C)(=O)F
InChi:InChI=1S/C7H16FN2OP/c1-5-10(6-2)7(3)9-12(4,8)11/h5-6H2,1-4H3/b9-7+/t12-/m0/s1
別名:A-230 (Nerve agent)
定義日:2019-02-01
最終更新日:2024-09-27
公開日:2020-07-01
識別子（ID）:(S)-N-[(1E)-1-(diethylamino)ethylidene]-P-methylphosphonamidic fluoride
SEI
SEI
表記:1-{3-METHYL-2-[4-(MORPHOLINE-4-CARBONYL)-BENZOYLAMINO]-BUTYRYL}-PYRROLIDINE-2-CARBOXYLIC ACID (3,3,4,4,4-PENTAFLUORO-1-ISOPROPYL-2-OXO-BUTYL)-AMIDE
組成式:C29 H37 F5 N4 O6
SMILES:O=C(c2ccc(C(=O)NC(C(=O)N1C(C(=O)NC(C(=O)C(F)(F)C(F)(F)F)C(C)C)CCC1)C(C)C)cc2)N3CCOCC3
InChi:InChI=1S/C29H37F5N4O6/c1-16(2)21(23(39)28(30,31)29(32,33)34)35-25(41)20-6-5-11-38(20)27(43)22(17(3)4)36-24(40)18-7-9-19(10-8-18)26(42)37-12-14-44-15-13-37/h7-10,16-17,20-22H,5-6,11-15H2,1-4H3,(H,35,41)(H,36,40)/t20-,21-,22-/m0/s1
別名:MDL 101,146
定義日:1999-07-08
最終更新日:2024-09-27
識別子（ID）:N-{[4-(morpholin-4-ylcarbonyl)phenyl]carbonyl}-L-valyl-N-[(1S)-3,3,4,4,4-pentafluoro-1-(1-methylethyl)-2-oxobutyl]-L-prolinamide
MPE
MPE
表記:(1H-INDOL-3-YL)-(2-MERCAPTO-ETHOXYIMINO)-ACETIC ACID
組成式:C12 H14 N2 O3 S
SMILES:O=C(O)C(c2c1ccccc1nc2)NOCCS
InChi:InChI=1S/C12H14N2O3S/c15-12(16)11(14-17-5-6-18)9-7-13-10-4-2-1-3-8(9)10/h1-4,7,11,13-14,18H,5-6H2,(H,15,16)/t11-/m1/s1
定義日:2002-07-03
最終更新日:2024-09-27
識別子（ID）:(2R)-1H-indol-3-yl[(2-sulfanylethoxy)amino]ethanoic acid
T85
T85
表記:2-iodanyl-4-(2-phenylimidazol-1-yl)benzaldehyde
組成式:C16 H11 I N2 O
SMILES:Ic1cc(ccc1C=O)n2ccnc2c3ccccc3
InChi:InChI=1S/C16H11IN2O/c17-15-10-14(7-6-13(15)11-20)19-9-8-18-16(19)12-4-2-1-3-5-12/h1-11H
定義日:2022-12-22
最終更新日:2024-09-27
公開日:2023-06-14
識別子（ID）:2-iodanyl-4-(2-phenylimidazol-1-yl)benzaldehyde
QEW
QEW
表記:1-[6-(6-methoxyisoquinolin-7-yl)-1,3-benzothiazol-2-yl]-3-(2-oxidanylideneethyl)urea
組成式:C20 H16 N4 O3 S
SMILES:COc1cc2ccncc2cc1c3ccc4nc(NC(=O)NCC=O)sc4c3
InChi:InChI=1S/C20H16N4O3S/c1-27-17-9-12-4-5-21-11-14(12)8-15(17)13-2-3-16-18(10-13)28-20(23-16)24-19(26)22-6-7-25/h2-5,7-11H,6H2,1H3,(H2,22,23,24,26)
定義日:2022-10-26
最終更新日:2024-09-27
公開日:2023-03-01
識別子（ID）:1-[6-(6-methoxyisoquinolin-7-yl)-1,3-benzothiazol-2-yl]-3-(2-oxidanylideneethyl)urea
PYS
PYS
表記:2-PYRIDINETHIOL
組成式:C5 H5 N S
SMILES:Sc1ncccc1
InChi:InChI=1S/C5H5NS/c7-5-3-1-2-4-6-5/h1-4H,(H,6,7)
定義日:1999-07-08
最終更新日:2024-09-27
識別子（ID）:pyridine-2-thiol
W0L
W0L
表記:(1R,2S,5S)-3-[bis(4-chlorophenyl)acetyl]-N-{(2S)-1-hydroxy-3-[(3S)-2-oxopyrrolidin-3-yl]propan-2-yl}-6,6-dimethyl-3-azabicyclo[3.1.0]hexane-2-carboxamide
組成式:C29 H33 Cl2 N3 O4
SMILES:CC1(C)C2C(C(=O)NC(CC3CCNC3=O)CO)N(CC21)C(=O)C(c1ccc(Cl)cc1)c1ccc(Cl)cc1
InChi:InChI=1S/C29H33Cl2N3O4/c1-29(2)22-14-34(25(24(22)29)27(37)33-21(15-35)13-18-11-12-32-26(18)36)28(38)23(16-3-7-19(30)8-4-16)17-5-9-20(31)10-6-17/h3-10,18,21-25,35H,11-15H2,1-2H3,(H,32,36)(H,33,37)/t18-,21-,22-,24-,25-/m0/s1
定義日:2023-09-21
最終更新日:2024-09-27
公開日:2024-09-25
識別子（ID）:(1R,2S,5S)-3-[bis(4-chlorophenyl)acetyl]-N-{(2S)-1-hydroxy-3-[(3S)-2-oxopyrrolidin-3-yl]propan-2-yl}-6,6-dimethyl-3-azabicyclo[3.1.0]hexane-2-carboxamide
SEL
SEL
表記:2-AMINO-1,3-PROPANEDIOL
組成式:C3 H9 N O2
SMILES:OCC(N)CO
InChi:InChI=1S/C3H9NO2/c4-3(1-5)2-6/h3,5-6H,1-2,4H2
別名:SERINOL
定義日:1999-10-14
最終更新日:2024-09-27
識別子（ID）:2-aminopropane-1,3-diol
TNQ
TNQ
表記:6-[(carboxymethyl)amino]-7-hydroxy-L-tryptophan
組成式:C13 H15 N3 O5
SMILES:NC(C(=O)O)Cc1cnc2c1ccc(c2O)NCC(=O)O
InChi:InChI=1S/C13H15N3O5/c14-8(13(20)21)3-6-4-16-11-7(6)1-2-9(12(11)19)15-5-10(17)18/h1-2,4,8,15-16,19H,3,5,14H2,(H,17,18)(H,20,21)/t8-/m0/s1
定義日:2018-08-16
最終更新日:2024-09-27
公開日:2019-01-16
識別子（ID）:6-[(carboxymethyl)amino]-7-hydroxy-L-tryptophan
SEM
SEM
表記:O-benzyl-L-serine
組成式:C10 H13 N O3
SMILES:O=C(O)C(N)COCc1ccccc1
InChi:InChI=1S/C10H13NO3/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
別名:(2S)-2-azanyl-3-phenylmethoxy-propanoic acid
定義日:1999-07-08
最終更新日:2024-09-27
識別子（ID）:O-benzyl-L-serine
OSL
OSL
表記:(2R)-2-hydroxy-3-(sulfooxy)propanoic acid
組成式:C3 H6 O7 S
SMILES:O=S(=O)(OCC(O)C(=O)O)O
InChi:InChI=1S/C3H6O7S/c4-2(3(5)6)1-10-11(7,8)9/h2,4H,1H2,(H,5,6)(H,7,8,9)/t2-/m1/s1
定義日:2010-11-10
最終更新日:2024-09-27
識別子（ID）:(2R)-2-hydroxy-3-(sulfooxy)propanoic acid
QF0
QF0
表記:(3S)-3-amino-4-(naphthalen-2-yl)butanoic acid
組成式:C14 H15 N O2
SMILES:O=C(O)CC(N)Cc1ccc2ccccc2c1
InChi:InChI=1S/C14H15NO2/c15-13(9-14(16)17)8-10-5-6-11-3-1-2-4-12(11)7-10/h1-7,13H,8-9,15H2,(H,16,17)/t13-/m0/s1
定義日:2022-06-07
最終更新日:2024-09-27
公開日:2023-06-14
識別子（ID）:(3S)-3-amino-4-(naphthalen-2-yl)butanoic acid
SEN
SEN
表記:O-[N,N-dimethylphosphoramidate]-L-serine
組成式:C5 H13 N2 O5 P
SMILES:O=P(O)(OCC(N)C(=O)O)N(C)C
InChi:InChI=1S/C5H13N2O5P/c1-7(2)13(10,11)12-3-4(6)5(8)9/h4H,3,6H2,1-2H3,(H,8,9)(H,10,11)/t4-/m0/s1
定義日:2008-06-27
最終更新日:2024-09-27
識別子（ID）:O-[(S)-(dimethylamino)(hydroxy)phosphoryl]-L-serine
T8A
T8A
表記:1-[(4S)-4-phenyl-3,4-dihydroisoquinolin-2(1H)-yl]ethan-1-one
組成式:C17 H17 N O
SMILES:c2cc3C(c1ccccc1)CN(C(C)=O)Cc3cc2
InChi:InChI=1S/C17H17NO/c1-13(19)18-11-15-9-5-6-10-16(15)17(12-18)14-7-3-2-4-8-14/h2-10,17H,11-12H2,1H3/t17-/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）:1-[(4S)-4-phenyl-3,4-dihydroisoquinolin-2(1H)-yl]ethan-1-one
MPL
MPL
表記:N-METHYL-PYRIDOXAL-5'-PHOSPHATE
組成式:C9 H13 N O6 P
SMILES:O=P(O)(O)OCc1c[n+](c(c(O)c1C=O)C)C
InChi:InChI=1S/C9H12NO6P/c1-6-9(12)8(4-11)7(3-10(6)2)5-16-17(13,14)15/h3-4H,5H2,1-2H3,(H2-,11,12,13,14,15)/p+1
定義日:1999-07-08
最終更新日:2024-09-27
識別子（ID）:4-formyl-3-hydroxy-1,2-dimethyl-5-[(phosphonooxy)methyl]pyridinium
OCA
OCA
表記:OCTANOIC ACID (CAPRYLIC ACID)
組成式:C8 H16 O2
SMILES:O=C(O)CCCCCCC
InChi:InChI=1S/C8H16O2/c1-2-3-4-5-6-7-8(9)10/h2-7H2,1H3,(H,9,10)
定義日:1999-07-08
最終更新日:2024-09-27
識別子（ID）:octanoic acid

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