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T65
T65
表記:2-[E-(E-2-oxidanylidenehexadec-5-enylidene)amino]ethanoic acid
組成式:C18 H31 N O3
SMILES:CCCCCCCCCCC=CCCC(=O)C=NCC(O)=O
InChi:InChI=1S/C18H31NO3/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-17(20)15-19-16-18(21)22/h11-12,15H,2-10,13-14,16H2,1H3,(H,21,22)/b12-11+,19-15+
定義日:2016-12-01
最終更新日:2024-09-27
公開日:2017-11-22
識別子（ID）:2-[(~{E})-[(~{E})-2-oxidanylidenehexadec-5-enylidene]amino]ethanoic acid
LTU
LTU
表記:2-Amino-3-hydroxy-3-[1-[2-(oxiran-2-yl)propan-2-yl]indol-3-yl]propanoic acid
組成式:C16 H20 N2 O4
SMILES:CC(C)([CH]1CO1)n2cc([CH](O)[CH](N)C(O)=O)c3ccccc23
InChi:InChI=1S/C16H20N2O4/c1-16(2,12-8-22-12)18-7-10(14(19)13(17)15(20)21)9-5-3-4-6-11(9)18/h3-7,12-14,19H,8,17H2,1-2H3,(H,20,21)/t12-,13+,14-/m1/s1
別名:(2~{S},3~{R})-2-azanyl-3-oxidanyl-3-[1-[2-[(2~{S})-oxiran-2-yl]propan-2-yl]indol-3-yl]propanoic acid
定義日:2022-07-12
最終更新日:2024-09-27
公開日:2023-03-29
識別子（ID）:(2~{S},3~{R})-2-azanyl-3-oxidanyl-3-[1-[2-[(2~{S})-oxiran-2-yl]propan-2-yl]indol-3-yl]propanoic acid
SCS
SCS
表記:3-(ethyldisulfanyl)-L-alanine
組成式:C5 H11 N O2 S2
SMILES:O=C(O)C(N)CSSCC
InChi:InChI=1S/C5H11NO2S2/c1-2-9-10-3-4(6)5(7)8/h4H,2-3,6H2,1H3,(H,7,8)/t4-/m0/s1
定義日:1999-07-08
最終更新日:2024-09-27
識別子（ID）:3-(ethyldisulfanyl)-L-alanine
T66
T66
表記:2-AMINOETHYLLYSINE-CARBONYLMETHYLENE-THYMINE
組成式:C15 H25 N5 O5
SMILES:O=C(N(C(C(=O)O)CCCCN)CCN)CN1C=C(C(=O)NC1=O)C
InChi:InChI=1S/C15H25N5O5/c1-10-8-19(15(25)18-13(10)22)9-12(21)20(7-6-17)11(14(23)24)4-2-3-5-16/h8,11H,2-7,9,16-17H2,1H3,(H,23,24)(H,18,22,25)/t11-/m1/s1
定義日:2003-02-19
最終更新日:2024-09-27
識別子（ID）:N~2~-(2-aminoethyl)-N~2~-[(5-methyl-2,4-dioxo-3,4-dihydropyrimidin-1(2H)-yl)acetyl]-D-lysine
TMM
TMM
表記:1,3,5-BENZENETRICARBOXYLIC ACID
組成式:C9 H6 O6
SMILES:O=C(O)c1cc(cc(C(=O)O)c1)C(=O)O
InChi:InChI=1S/C9H6O6/c10-7(11)4-1-5(8(12)13)3-6(2-4)9(14)15/h1-3H,(H,10,11)(H,12,13)(H,14,15)
定義日:1999-07-08
最終更新日:2024-09-27
識別子（ID）:benzene-1,3,5-tricarboxylic acid
NW3
NW3
表記:(2S,4S)-2-[(1S)-1-{[(2S)-2-amino-2-phenylacetyl]amino}-2-oxoethyl]-5,5-dimethyl-1,3-thiazolidine-4-carboxylic acid
組成式:C16 H21 N3 O4 S
SMILES:O=C(NC(C=O)C1NC(C(=O)O)C(C)(C)S1)C(N)c1ccccc1
InChi:InChI=1S/C16H21N3O4S/c1-16(2)12(15(22)23)19-14(24-16)10(8-20)18-13(21)11(17)9-6-4-3-5-7-9/h3-8,10-12,14,19H,17H2,1-2H3,(H,18,21)(H,22,23)/t10-,11-,12-,14-/m0/s1
定義日:2022-04-11
最終更新日:2024-09-27
公開日:2022-05-25
識別子（ID）:(2S,4S)-2-[(1S)-1-{[(2S)-2-amino-2-phenylacetyl]amino}-2-oxoethyl]-5,5-dimethyl-1,3-thiazolidine-4-carboxylic acid
SCU
SCU
表記:N,N,N-TRIMETHYL-2-[(4-OXOBUTANOYL)OXY]ETHANAMINIUM
組成式:C9 H18 N O3
SMILES:O=CCCC(=O)OCC[N+](C)(C)C
InChi:InChI=1S/C9H18NO3/c1-10(2,3)6-8-13-9(12)5-4-7-11/h7H,4-6,8H2,1-3H3/q+1
別名:SUCCINYLMONOCHOLINE
定義日:2006-06-14
最終更新日:2024-09-27
識別子（ID）:N,N,N-trimethyl-2-[(4-oxobutanoyl)oxy]ethanaminium
SXA
SXA
表記:THIOACETIC ACID S-{2-[3-(2-HYDROXY-3,3-DIMETHYL-4-PHOSPHONOOXY-BUTYRYLAMINO)-PROPIONYLAMINO]-ETHYL} ESTER
組成式:C13 H25 N2 O8 P S
SMILES:O=C(SCCNC(=O)CCNC(=O)C(O)C(C)(C)COP(=O)(O)O)C
InChi:InChI=1S/C13H25N2O8PS/c1-9(16)25-7-6-14-10(17)4-5-15-12(19)11(18)13(2,3)8-23-24(20,21)22/h11,18H,4-8H2,1-3H3,(H,14,17)(H,15,19)(H2,20,21,22)/t11-/m1/s1
定義日:2009-03-17
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] ethanethioate
N29
N29
表記:~{N}-(5-methyl-1,2-oxazol-3-yl)propanamide
組成式:C7 H10 N2 O2
SMILES:CCC(=O)Nc1cc(C)on1
InChi:InChI=1S/C7H10N2O2/c1-3-7(10)8-6-4-5(2)11-9-6/h4H,3H2,1-2H3,(H,8,9,10)
定義日:2022-08-11
最終更新日:2024-09-27
公開日:2022-09-28
識別子（ID）:~{N}-(5-methyl-1,2-oxazol-3-yl)propanamide
T69
T69
表記:(2E)-3-{(2R,4S)-2-[(2S,3S,5S,7S)-3,7-dihydroxy-5,8,8-trimethylnonan-2-yl]-1,3-thiazolidin-4-yl}-2-methylprop-2-enoic acid
組成式:C19 H35 N O4 S
SMILES:CC(=C/C1NC(SC1)C(C)C(O)CC(C)CC(O)C(C)(C)C)C(=O)O
InChi:InChI=1S/C19H35NO4S/c1-11(8-16(22)19(4,5)6)7-15(21)13(3)17-20-14(10-25-17)9-12(2)18(23)24/h9,11,13-17,20-22H,7-8,10H2,1-6H3,(H,23,24)/b12-9+/t11-,13-,14-,15-,16-,17+/m0/s1
定義日:2022-07-18
最終更新日:2024-09-27
公開日:2023-05-24
識別子（ID）:(2E)-3-{(2R,4S)-2-[(2S,3S,5S,7S)-3,7-dihydroxy-5,8,8-trimethylnonan-2-yl]-1,3-thiazolidin-4-yl}-2-methylprop-2-enoic acid
R6E
R6E
表記:(2~{R})-2-azanyl-2-ethyl-octanoic acid
組成式:C10 H21 N O2
SMILES:CCCCCC[C](N)(CC)C(O)=O
InChi:InChI=1S/C10H21NO2/c1-3-5-6-7-8-10(11,4-2)9(12)13/h3-8,11H2,1-2H3,(H,12,13)/t10-/m1/s1
定義日:2019-05-03
最終更新日:2024-09-27
公開日:2020-03-18
識別子（ID）:(2~{R})-2-azanyl-2-ethyl-octanoic acid
SXC
SXC
表記:bromo(4-{3-[(R)-ethoxy(4-nitrophenoxy)phosphoryl]propyl}-2,6-bis[(methylsulfanyl-kappaS)methyl]phenyl-kappaC~1~)palladium(2+)
組成式:C21 H27 Br N O5 P Pd S2
SMILES:[O-][N+](=O)c4ccc(OP(=O)(OCC)CCCc1cc2c3c(c1)C[S+](C)[Pd]3(Br)[S+](C2)C)cc4
InChi:InChI=1S/C21H27NO5PS2.BrH.Pd/c1-4-26-28(25,27-21-9-7-20(8-10-21)22(23)24)11-5-6-17-12-18(15-29-2)14-19(13-17)16-30-3
別名:ethyl 4-nitrophenyl P-[3-(4-(bromopallado)-1,3-bis[(methylthio)methyl]-phenyl)propyl]phosphonate
定義日:2008-10-08
最終更新日:2024-09-27
識別子（ID）:bromo(4-{3-[(R)-ethoxy(4-nitrophenoxy)phosphoryl]propyl}-2,6-bis[(methylsulfanyl-kappaS)methyl]phenyl-kappaC~1~)palladium(2+)
M9P
M9P
表記:amino{[(4S,5S)-4-amino-6,6,6-trifluoro-5-hydroxyhexyl]amino}methaniminium
組成式:C7 H16 F3 N4 O
SMILES:FC(F)(F)C(O)C(N)CCCNC(=[NH2+])N
InChi:InChI=1S/C7H15F3N4O/c8-7(9,10)5(15)4(11)2-1-3-14-6(12)13/h4-5,15H,1-3,11H2,(H4,12,13,14)/p+1/t4-,5-/m0/s1
定義日:2013-09-18
最終更新日:2024-09-27
公開日:2014-07-08
識別子（ID）:amino{[(4S,5S)-4-amino-6,6,6-trifluoro-5-hydroxyhexyl]amino}methaniminium
OQ8
OQ8
表記:~{N}-[4-[(4-ethylpiperazin-1-yl)methyl]-3-(trifluoromethyl)phenyl]-4-methyl-3-[2-[[(3~{S})-1-propanoylpyrrolidin-3-yl]amino]pyrimidin-4-yl]oxy-benzamide
組成式:C33 H40 F3 N7 O3
SMILES:CCN1CCN(CC1)Cc2ccc(NC(=O)c3ccc(C)c(Oc4ccnc(N[CH]5CCN(C5)C(=O)CC)n4)c3)cc2C(F)(F)F
InChi:InChI=1S/C33H40F3N7O3/c1-4-30(44)43-13-11-26(21-43)39-32-37-12-10-29(40-32)46-28-18-23(7-6-22(28)3)31(45)38-25-9-8-24(27(19-25)33(34,35)36)20-42-16-14-41(5-2)15-17-42/h6-10,12,18-19,26H,4-5,11,13-17,20-21H2,1-3H3,(H,38,45)(H,37,39,40)/t26-/m0/s1
定義日:2020-03-27
最終更新日:2024-09-27
公開日:2020-08-12
識別子（ID）:~{N}-[4-[(4-ethylpiperazin-1-yl)methyl]-3-(trifluoromethyl)phenyl]-4-methyl-3-[2-[[(3~{S})-1-propanoylpyrrolidin-3-yl]amino]pyrimidin-4-yl]oxy-benzamide
SXD
SXD
表記:N-{2-[(3,5-dioxohexyl)sulfanyl]ethyl}-N~3~-[(2S)-2-hydroxy-3,3-dimethyl-4-(phosphonooxy)butanoyl]-beta-alaninamide
組成式:C17 H31 N2 O9 P S
SMILES:O=C(NCCSCCC(=O)CC(=O)C)CCNC(=O)C(O)C(C)(C)COP(=O)(O)O
InChi:InChI=1S/C17H31N2O9PS/c1-12(20)10-13(21)5-8-30-9-7-18-14(22)4-6-19-16(24)15(23)17(2,3)11-28-29(25,26)27/h15,23H,4-11H2,1-3H3,(H,18,22)(H,19,24)(H2,25,26,27)/t15-/m1/s1
定義日:2009-04-02
最終更新日:2024-09-27
識別子（ID）:N-{2-[(3,5-dioxohexyl)sulfanyl]ethyl}-N~3~-[(2S)-2-hydroxy-3,3-dimethyl-4-(phosphonooxy)butanoyl]-beta-alaninamide
SXE
SXE
表記:O-{(S)-ETHOXY[(1-METHYLETHYL)AMINO]PHOSPHORYL}-L-SERINE
組成式:C8 H19 N2 O5 P
SMILES:O=P(OCC)(OCC(N)C(=O)O)NC(C)C
InChi:InChI=1S/C8H19N2O5P/c1-4-14-16(13,10-6(2)3)15-5-7(9)8(11)12/h6-7H,4-5,9H2,1-3H3,(H,10,13)(H,11,12)/t7-,16-/m0/s1
定義日:2007-02-13
最終更新日:2024-09-27
識別子（ID）:O-{(S)-ethoxy[(1-methylethyl)amino]phosphoryl}-L-serine
OAR
OAR
表記:N-(4-AMINO-5-HYDROXY-PENTYL)-GUANIDINE
組成式:C6 H16 N4 O
SMILES:[N@H]=C(NCCCC(N)CO)N
InChi:InChI=1S/C6H16N4O/c7-5(4-11)2-1-3-10-6(8)9/h5,11H,1-4,7H2,(H4,8,9,10)/t5-/m0/s1
定義日:1999-07-08
最終更新日:2024-09-27
識別子（ID）:1-[(4S)-4-amino-5-hydroxypentyl]guanidine
OAS
OAS
表記:O-ACETYLSERINE
組成式:C5 H9 N O4
SMILES:O=C(OCC(N)C(=O)O)C
InChi:InChI=1S/C5H9NO4/c1-3(7)10-2-4(6)5(8)9/h4H,2,6H2,1H3,(H,8,9)/t4-/m0/s1
定義日:2000-02-01
最終更新日:2024-09-27
識別子（ID）:O-acetyl-L-serine
N2C
N2C
表記:N,S-DIMETHYLCYSTEINE
組成式:C5 H11 N O2 S
SMILES:O=C(O)C(NC)CSC
InChi:InChI=1S/C5H11NO2S/c1-6-4(3-9-2)5(7)8/h4,6H,3H2,1-2H3,(H,7,8)/t4-/m0/s1
定義日:2004-11-02
最終更新日:2024-09-27
識別子（ID）:N,S-dimethyl-L-cysteine
SCY
SCY
表記:S-ACETYL-CYSTEINE
組成式:C5 H9 N O3 S
SMILES:O=C(O)C(N)CSC(=O)C
InChi:InChI=1S/C5H9NO3S/c1-3(7)10-2-4(6)5(8)9/h4H,2,6H2,1H3,(H,8,9)/t4-/m0/s1
定義日:1999-07-08
最終更新日:2024-09-27
識別子（ID）:S-acetyl-L-cysteine
MN1
MN1
表記:4-CARBOXYPIPERIDINE
組成式:C6 H11 N O2
SMILES:O=C(O)C1CCNCC1
InChi:InChI=1S/C6H11NO2/c8-6(9)5-1-3-7-4-2-5/h5,7H,1-4H2,(H,8,9)
定義日:1999-07-08
最終更新日:2024-09-27
識別子（ID）:piperidine-4-carboxylic acid
MN2
MN2
表記:1-CARBOXYETHYLAMINOMETHYL-4-AMINOMETHYLBENZENE
組成式:C11 H17 N2 O2
SMILES:O=C(O)CCNCc1ccc(cc1)C[NH3+]
InChi:InChI=1S/C11H16N2O2/c12-7-9-1-3-10(4-2-9)8-13-6-5-11(14)15/h1-4,13H,5-8,12H2,(H,14,15)/p+1
定義日:1999-07-08
最終更新日:2024-09-27
識別子（ID）:(4-{[(2-carboxyethyl)amino]methyl}phenyl)methanaminium
P5N
P5N
表記:1-(4-methylphenyl)imidazole
組成式:C10 H8 N2 O
SMILES:O=Cc1ccc(cc1)n2ccnc2
InChi:InChI=1S/C10H8N2O/c13-7-9-1-3-10(4-2-9)12-6-5-11-8-12/h1-8H
定義日:2020-04-15
最終更新日:2024-09-27
公開日:2020-09-23
識別子（ID）:4-imidazol-1-ylbenzaldehyde
OQB
OQB
表記:4-OXO-3-[(6-{[4-(QUINOXALIN-2-YLAMINO)-BENZOYLAMINO]-METHYL}-PYRIDINE-3-CARBONYL)-AMINO]-BUTYRIC ACID
組成式:C26 H22 N6 O5
SMILES:O=C(O)CC(C=O)NC(=O)c1cnc(cc1)CNC(=O)c4ccc(Nc2nc3c(nc2)cccc3)cc4
InChi:InChI=1S/C26H22N6O5/c33-15-20(11-24(34)35)31-26(37)17-7-10-19(27-12-17)13-29-25(36)16-5-8-18(9-6-16)30-23-14-28-21-3-1-2-4-22(21)32-23/h1-10,12,14-15,20H,11,13H2,(H,29,36)(H,30,32)(H,31,37)(H,34,35)/t20-/m0/s1
定義日:2004-01-09
最終更新日:2024-09-27
識別子（ID）:(3S)-4-oxo-3-[({6-[({[4-(quinoxalin-2-ylamino)phenyl]carbonyl}amino)methyl]pyridin-3-yl}carbonyl)amino]butanoic acid
SXH
SXH
表記:S-[2-({N-[(2S)-2-hydroxy-3,3-dimethyl-4-(phosphonooxy)butanoyl]-beta-alanyl}amino)ethyl] hexanethioate
組成式:C17 H33 N2 O8 P S
SMILES:O=C(SCCNC(=O)CCNC(=O)C(O)C(C)(C)COP(=O)(O)O)CCCCC
InChi:InChI=1S/C17H33N2O8PS/c1-4-5-6-7-14(21)29-11-10-18-13(20)8-9-19-16(23)15(22)17(2,3)12-27-28(24,25)26/h15,22H,4-12H2,1-3H3,(H,18,20)(H,19,23)(H2,24,25,26)/t15-/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] hexanethioate

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