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O4Q
O4Q
表記:(~{E})-4-chloranyl-3-methyl-but-3-enal
組成式:C5 H7 Cl O2
SMILES:CC(CC(O)=O)=CCl
InChi:InChI=1S/C5H7ClO2/c1-4(3-6)2-5(7)8/h3H,2H2,1H3,(H,7,8)/b4-3+
定義日:2020-01-31
最終更新日:2024-06-28
公開日:2020-03-04
識別子（ID）:(~{E})-4-chloranyl-3-methyl-but-3-enoic acid
O6H
O6H
表記:2,4,6-trimethyl-L-phenylalanine
組成式:C12 H17 N O2
SMILES:Cc1cc(C)c(C[CH](N)C(O)=O)c(C)c1
InChi:InChI=1S/C12H17NO2/c1-7-4-8(2)10(9(3)5-7)6-11(13)12(14)15/h4-5,11H,6,13H2,1-3H3,(H,14,15)/t11-/m0/s1
別名:(2~{S})-2-azanyl-3-(2,4,6-trimethylphenyl)propanal
定義日:2020-02-13
最終更新日:2024-06-28
公開日:2021-01-27
識別子（ID）:(2~{S})-2-azanyl-3-(2,4,6-trimethylphenyl)propanoic acid
ORT
ORT
表記:(4~{S})-4-azanyl-5-oxidanylidene-pentanehydrazide
組成式:C5 H11 N3 O3
SMILES:NNC(=O)CC[CH](N)C(O)=O
InChi:InChI=1S/C5H11N3O3/c6-3(5(10)11)1-2-4(9)8-7/h3H,1-2,6-7H2,(H,8,9)(H,10,11)/t3-/m0/s1
定義日:2020-04-01
最終更新日:2024-06-28
公開日:2020-07-01
識別子（ID）:(2~{S})-2-azanyl-5-diazanyl-5-oxidanylidene-pentanoic acid
P5R
P5R
表記:2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-(2-hydroxyethyloxy)ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethanol
組成式:C34 H70 O18
SMILES:OCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCO
InChi:InChI=1S/C34H70O18/c35-1-3-37-5-7-39-9-11-41-13-15-43-17-19-45-21-23-47-25-27-49-29-31-51-33-34-52-32-30-50-28-26-48-24-22-46-20-18-44-16-14-42-12-10-40-8-6-38-4-2-36/h35-36H,1-34H2
定義日:2023-08-22
最終更新日:2024-06-28
公開日:2024-07-03
識別子（ID）:2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-(2-hydroxyethyloxy)ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethanol
P8R
P8R
表記:1-methoxy-2-[2-[2-[2-[2-[2-[2-[2-[2-[2-(2-methoxyethoxy)ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethane
組成式:C24 H50 O12
SMILES:COCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOC
InChi:InChI=1S/C24H50O12/c1-25-3-5-27-7-9-29-11-13-31-15-17-33-19-21-35-23-24-36-22-20-34-18-16-32-14-12-30-10-8-28-6-4-26-2/h3-24H2,1-2H3
定義日:2023-08-24
最終更新日:2024-06-28
公開日:2024-07-03
識別子（ID）:1-methoxy-2-[2-[2-[2-[2-[2-[2-[2-[2-[2-(2-methoxyethoxy)ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethane
PX1
PX1
表記:(1Z)-7-AMINO-1-(HYDROXYMETHYLENE)-2-IMINO-4,6-DIMETHYL-3-OXO-2,3-DIHYDRO-1H-PHENOXAZINE-9-CARBALDEHYDE
組成式:C16 H13 N3 O6
SMILES:O=C2C(=[N@H])/C(/C1=Nc3c(OC1=C2C)c(c(cc3C=O)N)C)=CO
InChi:InChI=1S/C16H13N3O6/c1-4-7(17)3-6(15(21)22)10-13(4)25-14-5(2)12(20)9(18)8(16(23)24)11(14)19-10/h3,18,23-24H,17H2,1-2H3,(H,21,22)/b18-9-
定義日:2003-09-10
最終更新日:2024-06-28
識別子（ID）:(1E,2E)-7-amino-1-(hydroxymethylidene)-2-imino-4,6-dimethyl-3-oxo-2,3-dihydro-1H-phenoxazine-9-carbaldehyde
PXA
PXA
表記:2-AMINO-1,9-DICARBONYL-4,6-DIMETHYL-10-DEHYDRO-3-OXO(8-AZA)PHENOXAZINE
組成式:C15 H11 N3 O6
SMILES:O=CC=2C1=Nc3c(ncc(c3OC1=C(C(=O)C=2N)C)C)C=O
InChi:InChI=1S/C15H11N3O6/c1-4-3-17-10(15(22)23)9-12(4)24-13-5(2)11(19)7(16)6(14(20)21)8(13)18-9/h3H,16H2,1-2H3,(H,20,21)(H,22,23)
別名:(8-AZA)PHENOXAZINE
定義日:1999-07-08
最終更新日:2024-06-28
識別子（ID）:8-amino-4,6-dimethyl-7-oxo-7H-pyrido[4,3-b][1,4]benzoxazine-1,9-dicarbaldehyde
PXF
PXF
表記:2-AMINO-1,9-DICARBONYL-4,6-DIMETHYL-10-DEHYDRO-8-FLUORO-3-OXOPHENOXAZINE
組成式:C16 H11 F N2 O6
SMILES:C1(C=O)=C(N)C(=O)C(=C2Oc3c(cc(F)c(C=O)c3N=C12)C)C
InChi:InChI=1S/C16H11FN2O6/c1-4-3-6(17)7(15(21)22)10-13(4)25-14-5(2)12(20)9(18)8(16(23)24)11(14)19-10/h3H,18H2,1-2H3,(H,21,22)(H,23,24)
別名:8-FLUORO-PHENOXAZINE
定義日:1999-07-08
最終更新日:2024-06-28
識別子（ID）:2-amino-8-fluoro-4,6-dimethyl-3-oxo-3H-phenoxazine-1,9-dicarbaldehyde
PXZ
PXZ
表記:2-AMINO-1,9-DICARBONYL-4,6-DIMETHYL-10-DEHYDRO-PHENOXAZIN-3-ONE
組成式:C16 H12 N2 O6
SMILES:O=CC=2C1=Nc3c(OC1=C(C(=O)C=2N)C)c(ccc3C=O)C
InChi:InChI=1S/C16H12N2O6/c1-5-3-4-7(15(20)21)10-13(5)24-14-6(2)12(19)9(17)8(16(22)23)11(14)18-10/h3-4H,17H2,1-2H3,(H,20,21)(H,22,23)
別名:PHENOXAZINE
定義日:1999-07-08
最終更新日:2024-06-28
識別子（ID）:2-amino-4,6-dimethyl-3-oxo-3H-phenoxazine-1,9-dicarbaldehyde
Q2E
Q2E
表記:(2~{S})-2-azanyl-3-(2-methylsulfanyl-1~{H}-indol-3-yl)propanal
組成式:C12 H14 N2 O2 S
SMILES:CSc1[nH]c2ccccc2c1C[CH](N)C(O)=O
InChi:InChI=1S/C12H14N2O2S/c1-17-11-8(6-9(13)12(15)16)7-4-2-3-5-10(7)14-11/h2-5,9,14H,6,13H2,1H3,(H,15,16)/t9-/m0/s1
定義日:2020-05-07
最終更新日:2024-06-28
公開日:2021-05-19
識別子（ID）:(2~{S})-2-azanyl-3-(2-methylsulfanyl-1~{H}-indol-3-yl)propanoic acid
Q8X
Q8X
表記:(2~{R})-2-azanyl-3-[(6-pyridin-2-ylpyridin-3-yl)methylsulfanyl]propanal
組成式:C14 H15 N3 O2 S
SMILES:N[CH](CSCc1ccc(nc1)c2ccccn2)C(O)=O
InChi:InChI=1S/C14H15N3O2S/c15-11(14(18)19)9-20-8-10-4-5-13(17-7-10)12-3-1-2-6-16-12/h1-7,11H,8-9,15H2,(H,18,19)/t11-/m0/s1
定義日:2022-07-20
最終更新日:2024-06-28
公開日:2023-08-16
識別子（ID）:(2~{R})-2-azanyl-3-[(6-pyridin-2-ylpyridin-3-yl)methylsulfanyl]propanoic acid
QCN
QCN
表記:(2~{S})-2-azanyl-3-(3-~{tert}-butyl-4-oxidanyl-phenyl)propanal
組成式:C13 H19 N O3
SMILES:CC(C)(C)c1cc(C[CH](N)C(O)=O)ccc1O
InChi:InChI=1S/C13H19NO3/c1-13(2,3)9-6-8(4-5-11(9)15)7-10(14)12(16)17/h4-6,10,15H,7,14H2,1-3H3,(H,16,17)/t10-/m0/s1
定義日:2020-06-05
最終更新日:2024-06-28
公開日:2021-06-30
識別子（ID）:(2~{S})-2-azanyl-3-(3-~{tert}-butyl-4-oxidanyl-phenyl)propanoic acid
C12
C12
表記:2-(1-AMINO-2-HYDROXYPROPYL)-4-(4-HYDROXYBENZYL)-1-(2-OXOETHYL)-1H-IMIDAZOL-5-OLATE
組成式:C15 H18 N3 O5
SMILES:[O-]c1c(nc(n1CC=O)C(N)C(O)C)Cc2ccc(O)cc2
InChi:InChI=1S/C15H19N3O5/c1-8(19)13(16)14-17-11(15(23)18(14)7-12(21)22)6-9-2-4-10(20)5-3-9/h2-5,8,13,19-20,23H,6-7,16H2,1H3,(H,21,22)/p-1/t8-,13+/m1/s1
別名:PEPTIDE DERIVED CHROMOPHORE
定義日:2006-02-23
最終更新日:2024-06-28
識別子（ID）:2-[(1R,2R)-1-amino-2-hydroxypropyl]-4-(4-hydroxybenzyl)-1-(2-oxoethyl)-1H-imidazol-5-olate
QQ8
QQ8
表記:(4~{S})-4-azanyl-5-formamido-pentanamide
組成式:C6 H13 N3 O3
SMILES:N[CH](CCC(N)=O)CNC(O)=O
InChi:InChI=1S/C6H13N3O3/c7-4(1-2-5(8)10)3-9-6(11)12/h4,9H,1-3,7H2,(H2,8,10)(H,11,12)/t4-/m0/s1
定義日:2020-07-23
最終更新日:2024-06-28
公開日:2021-06-09
識別子（ID）:[(2~{S})-2,5-bis(azanyl)-5-oxidanylidene-pentyl]carbamic acid
QQB
QQB
表記:~{N}-[(2~{S})-2-azanyl-3-naphthalen-1-yl-propyl]methanamide
組成式:C14 H16 N2 O2
SMILES:N[CH](CNC(O)=O)Cc1cccc2ccccc12
InChi:InChI=1S/C14H16N2O2/c15-12(9-16-14(17)18)8-11-6-3-5-10-4-1-2-7-13(10)11/h1-7,12,16H,8-9,15H2,(H,17,18)/t12-/m0/s1
定義日:2020-07-23
最終更新日:2024-06-28
公開日:2021-06-09
識別子（ID）:[(2~{S})-2-azanyl-3-naphthalen-1-yl-propyl]carbamic acid
CFD
CFD
表記:(2R,3E,5R)-5-amino-2,4-dimethylhex-3-enal
組成式:C8 H15 N O2
SMILES:O=CC(C=C(/C)C(N)C)C
InChi:InChI=1S/C8H15NO2/c1-5(7(3)9)4-6(2)8(10)11/h4,6-7H,9H2,1-3H3,(H,10,11)/b5-4+/t6-,7-/m1/s1
定義日:2008-12-17
最終更新日:2024-06-28
識別子（ID）:(2R,3E,5R)-5-amino-2,4-dimethylhex-3-enal
CIV
CIV
表記:2-[2-[(1~{S})-1,5-bis(azanyl)pentyl]-4-[(4-hydroxyphenyl)methyl]-5-oxidanylidene-imidazol-1-yl]ethanamide
組成式:C17 H23 N4 O4
SMILES:NCCCCC(N)C=1N=C(Cc2ccc(O)cc2)C(=O)[N+]=1CC(N)=O
InChi:InChI=1S/C17H22N4O4/c18-8-2-1-3-13(19)16-20-14(17(25)21(16)10-15(23)24)9-11-4-6-12(22)7-5-11/h4-7,13H,1-3,8-10,18-19H2,(H-,22,23,24)/p+1/t13-/m0/s1
別名:CHROMOPHORE (LYS-TYR-GLY)
定義日:2021-11-22
最終更新日:2024-06-28
公開日:2022-04-20
識別子（ID）:3-(2-amino-2-oxoethyl)-2-[(1S)-1,5-diaminopentyl]-5-[(4-hydroxyphenyl)methyl]-4-oxo-4H-imidazol-3-ium
RNG
RNG
表記:(6,10-DIOXO-OCTAHYDRO-PYRIDAZINO[1,2-A][1,2]DIAZEPIN-1-YL)-ACETALDEHYDE FRAGMENT
組成式:C11 H16 N2 O4
SMILES:O=C1N2N(C(=O)CCC1)C(CCC2)CC=O
InChi:InChI=1S/C11H16N2O4/c14-9-4-1-5-10(15)13-8(7-11(16)17)3-2-6-12(9)13/h8H,1-7H2,(H,16,17)/t8-/m1/s1
別名:FUSED RING FRAGMENT OF INHIBITOR
定義日:1999-07-08
最終更新日:2024-06-28
識別子（ID）:[(1R)-6,10-dioxooctahydro-6H-pyridazino[1,2-a][1,2]diazepin-1-yl]acetaldehyde
S7Z
S7Z
表記:(E)-(4-((2,6-difluoro-4-(hydroxymethyl)phenyl)diazenyl)-2,6-difluorophenyl)methanol
組成式:C14 H6 F4 N2 O4
SMILES:OC(=O)c1cc(F)c(N=Nc2c(F)cc(cc2F)C(O)=O)c(F)c1
InChi:InChI=1S/C14H6F4N2O4/c15-7-1-5(13(21)22)2-8(16)11(7)19-20-12-9(17)3-6(14(23)24)4-10(12)18/h1-4H,(H,21,22)(H,23,24)/b20-19-
別名:[4-[(~{Z})-[2,6-bis(fluoranyl)-4-(hydroxymethyl)phenyl]diazenyl]-3,5-bis(fluoranyl)phenyl]methanol
定義日:2020-11-11
最終更新日:2024-06-28
公開日:2021-12-15
識別子（ID）:4-[(~{Z})-[4-carboxy-2,6-bis(fluoranyl)phenyl]diazenyl]-3,5-bis(fluoranyl)benzoic acid
CR0
CR0
表記:[2-(1-AMINO-2-HYDROXYPROPYL)-2-HYDROXY-4-ISOBUTYL-5-OXO-2,5-DIHYDRO-1H-IMIDAZOL-1-YL]ACETALDEHYDE
組成式:C12 H21 N3 O5
SMILES:O=CCN1C(=O)C(=NC1(O)C(N)C(O)C)CC(C)C
InChi:InChI=1S/C12H21N3O5/c1-6(2)4-8-11(19)15(5-9(17)18)12(20,14-8)10(13)7(3)16/h6-7,10,16,20H,4-5,13H2,1-3H3,(H,17,18)/t7-,10+,12-/m1/s1
別名:1-(2-ETHANONE)-2-HYDROXY-2-(1-AMINO-2-METHYL-2-ETHANOL)-4-(2-DIMETHYL)ETHANE-IMIDAZOLINE-5-ONE
定義日:2004-02-05
最終更新日:2024-06-28
識別子（ID）:[(2R)-2-[(1S,2R)-1-amino-2-hydroxypropyl]-2-hydroxy-4-(2-methylpropyl)-5-oxo-2,5-dihydro-1H-imidazol-1-yl]acetaldehyde
CRK
CRK
表記:4-{(Z)-[2-[3-(METHYLSULFANYL)PROPANOYL]-5-OXO-1-(2-OXOETHYL)-1,5-DIHYDRO-4H-IMIDAZOL-4-YLIDENE]METHYL}BENZENOLATE
組成式:C16 H15 N2 O5 S
SMILES:O=C(C1=N/C(C(=O)N1CC=O)=C/c2ccc([O-])cc2)CCSC
InChi:InChI=1S/C16H16N2O5S/c1-24-7-6-13(20)15-17-12(16(23)18(15)9-14(21)22)8-10-2-4-11(19)5-3-10/h2-5,8,19H,6-7,9H2,1H3,(H,21,22)/p-1/b12-8+
定義日:2004-10-11
最終更新日:2024-06-28
識別子（ID）:4-[(E)-{2-[3-(methylsulfanyl)propanoyl]-5-oxo-1-(2-oxoethyl)-1,5-dihydro-4H-imidazol-4-ylidene}methyl]phenolate
SJW
SJW
表記:3-pyridin-3-ylpropanal
組成式:C8 H9 N O2
SMILES:OC(=O)CCc1cccnc1
InChi:InChI=1S/C8H9NO2/c10-8(11)4-3-7-2-1-5-9-6-7/h1-2,5-6H,3-4H2,(H,10,11)
定義日:2020-11-20
最終更新日:2024-06-28
公開日:2021-12-01
識別子（ID）:3-pyridin-3-ylpropanoic acid
TA2
TA2
表記:(2R,3S)-3-AMINO-3-PHENYLPROPANE-1,2-DIOL
組成式:C9 H11 N O3
SMILES:OCC(O)C(N)c1ccccc1
InChi:InChI=1S/C9H11NO3/c10-7(8(11)9(12)13)6-4-2-1-3-5-6/h1-5,7-8,11H,10H2,(H,12,13)/t7-,8+/m0/s1
定義日:2006-09-22
最終更新日:2024-06-28
識別子（ID）:(2R,3S)-3-amino-3-phenylpropane-1,2-diol
9AC
9AC
表記:9-ACRIDINECARBONYL
組成式:C14 H9 N O2
SMILES:O=Cc1c3c(nc2c1cccc2)cccc3
InChi:InChI=1S/C14H9NO2/c16-14(17)13-9-5-1-3-7-11(9)15-12-8-4-2-6-10(12)13/h1-8H,(H,16,17)
別名:9-ACRIDINOYL
定義日:2000-11-10
最終更新日:2024-06-28
識別子（ID）:acridine-9-carbaldehyde
DUG
DUG
表記:(3-chloro-4-fluorophenoxy)acetaldehyde
組成式:C8 H6 Cl F O3
SMILES:Fc1ccc(cc1Cl)OCC=O
InChi:InChI=1S/C8H6ClFO3/c9-6-3-5(1-2-7(6)10)13-4-8(11)12/h1-3H,4H2,(H,11,12)
定義日:2017-11-07
最終更新日:2024-06-28
公開日:2018-10-17
識別子（ID）:(3-chloro-4-fluorophenoxy)acetaldehyde

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