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MXT
MXT
表記:1-(1-HYDROXY-2,2,6,6-TETRAMETHYLPIPERIDIN-4-YL)PYRROLIDINE-2,5-DIONE
組成式:C13 H22 N2 O3
SMILES:O=C1N(C(=O)CC1)C2CC(N(O)C(C)(C)C2)(C)C
InChi:InChI=1S/C13H22N2O3/c1-12(2)7-9(8-13(3,4)15(12)18)14-10(16)5-6-11(14)17/h9,18H,5-8H2,1-4H3
定義日:2007-08-21
最終更新日:2024-09-27
識別子（ID）:1-(1-hydroxy-2,2,6,6-tetramethylpiperidin-4-yl)pyrrolidine-2,5-dione
MXU
MXU
表記:~{tert}-butyl ~{N}-[1-[(2~{S})-1-[[(2~{S},3~{R})-4-azanyl-3-oxidanyl-4-oxidanylidene-1-[(3~{S})-2-oxidanylidenepyrrolidin-3-yl]butan-2-yl]amino]-3-cyclopropyl-1-oxidanylidene-propan-2-yl]-2-oxidanylidene-pyridin-3-yl]carbamate
組成式:C24 H35 N5 O7
SMILES:CC(C)(C)OC(=O)NC1=CC=CN([CH](CC2CC2)C(=O)N[CH](C[CH]3CCNC3=O)[CH](O)C(N)=O)C1=O
InChi:InChI=1S/C24H35N5O7/c1-24(2,3)36-23(35)28-15-5-4-10-29(22(15)34)17(11-13-6-7-13)21(33)27-16(18(30)19(25)31)12-14-8-9-26-20(14)32/h4-5,10,13-14,16-18,30H,6-9,11-12H2,1-3H3,(H2,25,31)(H,26,32)(H,27,33)(H,28,35)/t14-,16-,17-,18+/m0/s1
定義日:2022-08-09
最終更新日:2024-09-27
公開日:2023-08-16
識別子（ID）:~{tert}-butyl ~{N}-[1-[(2~{S})-1-[[(2~{S},3~{R})-4-azanyl-3-oxidanyl-4-oxidanylidene-1-[(3~{S})-2-oxidanylidenepyrrolidin-3-yl]butan-2-yl]amino]-3-cyclopropyl-1-oxidanylidene-propan-2-yl]-2-oxidanylidene-pyridin-3-yl]carbamate
QNC
QNC
表記:quinoline-2-carboxylic acid
組成式:C10 H7 N O2
SMILES:O=C(O)c1nc2ccccc2cc1
InChi:InChI=1S/C10H7NO2/c12-10(13)9-6-5-7-3-1-2-4-8(7)11-9/h1-6H,(H,12,13)
定義日:1999-07-08
最終更新日:2024-09-27
識別子（ID）:quinoline-2-carboxylic acid
UAL
UAL
表記:(2Z)-2-amino-3-(carbamoylamino)prop-2-enoic acid
組成式:C4 H7 N3 O3
SMILES:NC(=O)NC=C(N)C(O)=O
InChi:InChI=1S/C4H7N3O3/c5-2(3(8)9)1-7-4(6)10/h1H,5H2,(H,8,9)(H3,6,7,10)/b2-1-
定義日:2010-02-05
最終更新日:2024-09-27
識別子（ID）:(Z)-3-(aminocarbonylamino)-2-azanyl-prop-2-enoic acid
TGA
TGA
表記:2-sulfanylethyl beta-D-galactopyranoside
組成式:C8 H16 O6 S
SMILES:OC[CH]1O[CH](OCCS)[CH](O)[CH](O)[CH]1O
InChi:InChI=1S/C8H16O6S/c9-3-4-5(10)6(11)7(12)8(14-4)13-1-2-15/h4-12,15H,1-3H2/t4-,5+,6+,7-,8-/m1/s1
別名:METHANETHIOSULFONYL-GALACTOSIDE
定義日:2011-01-19
最終更新日:2024-09-27
識別子（ID）:(2R,3R,4S,5R,6R)-2-(hydroxymethyl)-6-(2-sulfanylethoxy)oxane-3,4,5-triol
RF6
RF6
表記:4,6-diethylpyrimidin-2-amine
組成式:C8 H13 N3
SMILES:CCc1cc(CC)nc(N)n1
InChi:InChI=1S/C8H13N3/c1-3-6-5-7(4-2)11-8(9)10-6/h5H,3-4H2,1-2H3,(H2,9,10,11)
別名:4,6-bis(ethenyl)pyrimidin-2-amine (precursor)
定義日:2022-11-30
最終更新日:2024-09-27
公開日:2023-03-08
識別子（ID）:4,6-diethylpyrimidin-2-amine
PEL
PEL
表記:2-PHENYL-ETHANOL
組成式:C8 H10 O
SMILES:OCCc1ccccc1
InChi:InChI=1S/C8H10O/c9-7-6-8-4-2-1-3-5-8/h1-5,9H,6-7H2
定義日:2000-06-13
最終更新日:2024-09-27
識別子（ID）:2-phenylethanol
MY0
MY0
表記:(2S)-4-[1-(carboxymethyl)hydrazinyl]-2-hydroxy-4-oxobutanoic acid
組成式:C6 H10 N2 O6
SMILES:O=C(N(N)CC(=O)O)CC(O)C(=O)O
InChi:InChI=1S/C6H10N2O6/c7-8(2-5(11)12)4(10)1-3(9)6(13)14/h3,9H,1-2,7H2,(H,11,12)(H,13,14)/t3-/m0/s1
定義日:2010-11-08
最終更新日:2024-09-27
識別子（ID）:(2S)-4-[1-(carboxymethyl)hydrazinyl]-2-hydroxy-4-oxobutanoic acid
RF9
RF9
表記:N~6~-[(1R)-1-carboxyethyl]-L-lysine
組成式:C9 H18 N2 O4
SMILES:NC(CCCCNC(C)C(O)=O)C(O)=O
InChi:InChI=1S/C9H18N2O4/c1-6(8(12)13)11-5-3-2-4-7(10)9(14)15/h6-7,11H,2-5,10H2,1H3,(H,12,13)(H,14,15)/t6-,7+/m1/s1
定義日:2019-02-05
最終更新日:2024-09-27
公開日:2019-02-27
識別子（ID）:N~6~-[(1R)-1-carboxyethyl]-L-lysine
OL1
OL1
表記:7-phenyl-1-(5-pyridin-2-yl-1,3-oxazol-2-yl)heptane-1,1-diol
組成式:C21 H24 N2 O3
SMILES:n3c(c1oc(nc1)C(O)(O)CCCCCCc2ccccc2)cccc3
InChi:InChI=1S/C21H24N2O3/c24-21(25,14-8-2-1-4-10-17-11-5-3-6-12-17)20-23-16-19(26-20)18-13-7-9-15-22-18/h3,5-7,9,11-13,15-16,24-25H,1-2,4,8,10,14H2
定義日:2009-05-19
最終更新日:2024-09-27
識別子（ID）:7-phenyl-1-(5-pyridin-2-yl-1,3-oxazol-2-yl)heptane-1,1-diol
PEP
PEP
表記:PHOSPHOENOLPYRUVATE
組成式:C3 H5 O6 P
SMILES:O=C(O)C(OP(=O)(O)O)=C
InChi:InChI=1S/C3H5O6P/c1-2(3(4)5)9-10(6,7)8/h1H2,(H,4,5)(H2,6,7,8)
定義日:1999-07-08
最終更新日:2024-09-27
識別子（ID）:2-(phosphonooxy)prop-2-enoic acid
MY1
MY1
表記:[N-(3-DIBENZYLCARBAMOYL-OXIRANECARBONYL)-HYDRAZINO]-ACETIC ACID
組成式:C20 H23 N3 O5
SMILES:O=C(O)CN(N)C(=O)CC(O)C(=O)N(Cc1ccccc1)Cc2ccccc2
InChi:InChI=1S/C20H23N3O5/c21-23(14-19(26)27)18(25)11-17(24)20(28)22(12-15-7-3-1-4-8-15)13-16-9-5-2-6-10-16/h1-10,17,24H,11-14,21H2,(H,26,27)/t17-/m0/s1
定義日:2006-01-27
最終更新日:2024-09-27
識別子（ID）:{1-[(3S)-4-(dibenzylamino)-3-hydroxy-4-oxobutanoyl]hydrazino}acetic acid
8TQ
8TQ
表記:(3~{S},7~{R},10~{R},13~{S})-2-oxidanylidene-1,4-diazatricyclo[8.3.0.0^{3,7}]tridec-8-ene-13-carbaldehyde
組成式:C12 H16 N2 O2
SMILES:O=C[CH]1CC[CH]2C=C[CH]3CCN[CH]3C(=O)N12
InChi:InChI=1S/C12H16N2O2/c15-7-10-4-3-9-2-1-8-5-6-13-11(8)12(16)14(9)10/h1-2,7-11,13H,3-6H2/t8-,9-,10-,11-/m0/s1
定義日:2017-03-07
最終更新日:2024-09-27
公開日:2018-03-21
識別子（ID）:(3~{S},7~{R},10~{R},13~{S})-2-oxidanylidene-1,4-diazatricyclo[8.3.0.0^{3,7}]tridec-8-ene-13-carbaldehyde
Q9D
Q9D
表記:benzyl [(2S)-1-(3-nitrophenyl)-3-oxobutan-2-yl]carbamate
組成式:C18 H18 N2 O5
SMILES:c1c(cc(cc1)CC(C(C)=O)NC(=O)OCc2ccccc2)[N+](=O)[O-]
InChi:InChI=1S/C18H18N2O5/c1-13(21)17(11-15-8-5-9-16(10-15)20(23)24)19-18(22)25-12-14-6-3-2-4-7-14/h2-10,17H,11-12H2,1H3,(H,19,22)/t17-/m0/s1
定義日:2019-10-07
最終更新日:2024-09-27
公開日:2020-09-09
識別子（ID）:benzyl [(2S)-1-(3-nitrophenyl)-3-oxobutan-2-yl]carbamate
MY2
MY2
表記:{1-[(3S)-4-(BENZYLOXY)-3-HYDROXY-4-OXOBUTANOYL]HYDRAZINO}ACETIC ACID
組成式:C13 H16 N2 O6
SMILES:O=C(O)CN(N)C(=O)CC(O)C(=O)OCc1ccccc1
InChi:InChI=1S/C13H16N2O6/c14-15(7-12(18)19)11(17)6-10(16)13(20)21-8-9-4-2-1-3-5-9/h1-5,10,16H,6-8,14H2,(H,18,19)/t10-/m0/s1
定義日:2006-05-22
最終更新日:2024-09-27
識別子（ID）:{1-[(3S)-4-(benzyloxy)-3-hydroxy-4-oxobutanoyl]hydrazino}acetic acid
TGH
TGH
表記:6-{[(S)-carboxy(hydroxy)methyl]amino}-7-hydroxy-L-tryptophan
組成式:C13 H15 N3 O6
SMILES:NC(C(=O)O)Cc1cnc2c1ccc(c2O)NC(C(=O)O)O
InChi:InChI=1S/C13H15N3O6/c14-7(12(19)20)3-5-4-15-9-6(5)1-2-8(10(9)17)16-11(18)13(21)22/h1-2,4,7,11,15-18H,3,14H2,(H,19,20)(H,21,22)/t7-,11-/m0/s1
定義日:2020-01-29
最終更新日:2024-09-27
公開日:2020-04-08
識別子（ID）:6-{[(S)-carboxy(hydroxy)methyl]amino}-7-hydroxy-L-tryptophan
MY3
MY3
表記:[N-(3-BENZYLCARBAMOYL-OXIRANECARBONYL)-HYDRAZINO] - ACETIC ACID
組成式:C13 H17 N3 O5
SMILES:O=C(O)CN(N)C(=O)CC(O)C(=O)NCc1ccccc1
InChi:InChI=1S/C13H17N3O5/c14-16(8-12(19)20)11(18)6-10(17)13(21)15-7-9-4-2-1-3-5-9/h1-5,10,17H,6-8,14H2,(H,15,21)(H,19,20)/t10-/m0/s1
定義日:2006-05-22
最終更新日:2024-09-27
識別子（ID）:{1-[(3S)-4-(benzylamino)-3-hydroxy-4-oxobutanoyl]hydrazinyl}acetic acid
P18
P18
表記:3-hydroxy-1-phenylpropan-1-one
組成式:C9 H10 O2
SMILES:O=C(c1ccccc1)CCO
InChi:InChI=1S/C9H10O2/c10-7-6-9(11)8-4-2-1-3-5-8/h1-5,10H,6-7H2
定義日:2012-08-02
最終更新日:2024-09-27
公開日:2013-01-11
識別子（ID）:3-hydroxy-1-phenylpropan-1-one
QNN
QNN
表記:(2~{S})-2-methyl-1-azabicyclo[2.2.2]octan-3-one
組成式:C8 H13 N O
SMILES:C[CH]1N2CCC(CC2)C1=O
InChi:InChI=1S/C8H13NO/c1-6-8(10)7-2-4-9(6)5-3-7/h6-7H,2-5H2,1H3/t6-/m0/s1
定義日:2020-07-08
最終更新日:2024-09-27
公開日:2021-12-08
識別子（ID）:(2~{S})-2-methyl-1-azabicyclo[2.2.2]octan-3-one
SNC
SNC
表記:S-NITROSO-CYSTEINE
組成式:C3 H6 N2 O3 S
SMILES:O=C(O)C(N)CSN=O
InChi:InChI=1S/C3H6N2O3S/c4-2(3(6)7)1-9-5-8/h2H,1,4H2,(H,6,7)/t2-/m0/s1
定義日:1999-07-08
最終更新日:2024-09-27
識別子（ID）:S-nitroso-L-cysteine
MY5
MY5
表記:{1-[(3S)-4-{[(1S)-2-(BENZYLAMINO)-1-METHYL-2-OXOETHYL]AMINO}-3-HYDROXY-4-OXOBUTANOYL]HYDRAZINO}ACETIC ACID
組成式:C16 H22 N4 O6
SMILES:O=C(O)CN(N)C(=O)CC(O)C(=O)NC(C(=O)NCc1ccccc1)C
InChi:InChI=1S/C16H22N4O6/c1-10(15(25)18-8-11-5-3-2-4-6-11)19-16(26)12(21)7-13(22)20(17)9-14(23)24/h2-6,10,12,21H,7-9,17H2,1H3,(H,18,25)(H,19,26)(H,23,24)/t10-,12-/m0/s1
定義日:2006-05-22
最終更新日:2024-09-27
識別子（ID）:{1-[(3S)-4-{[(2S)-1-(benzylamino)-1-oxopropan-2-yl]amino}-3-hydroxy-4-oxobutanoyl]hydrazinyl}acetic acid
LBV
LBV
表記:3-[2-[(Z)-[3-(2-carboxyethyl)-5-[(Z)-(4-ethenyl-3-methyl-5-oxidanylidene-pyrrol-2-ylidene)methyl]-4-methyl-pyrrol-1-ium -2-ylidene]methyl]-5-[(Z)-[(3E)-3-ethylidene-4-methyl-5-oxidanylidene-pyrrolidin-2-ylidene]methyl]-4-methyl-1H-pyrrol-3- yl]propanoic acid
組成式:C33 H37 N4 O6
SMILES:CC=C1[CH](C)C(=O)NC1=Cc2[nH]c(C=C3[NH+]=C(C=C4NC(=O)C(=C4C)C=C)C(=C3CCC(O)=O)C)c(CCC(O)=O)c2C
InChi:InChI=1S/C33H36N4O6/c1-7-20-19(6)32(42)37-27(20)14-25-18(5)23(10-12-31(40)41)29(35-25)15-28-22(9-11-30(38)39)17(4)24(34-28)13-26-16(3)21(8-2)33(43)36-26/h7-8,13-15,19,35H,2,9-12H2,1,3-6H3,(H,36,43)(H,37,42)(H,38,39)(H,40,41)/p+1/b20-7+,26-13-,27-14-,28-15-/t19-/m0/s1
別名:2(R),3(E)- PHYTOCHROMOBILIN
定義日:2006-12-22
最終更新日:2024-09-27
識別子（ID）:3-[2-[(Z)-[3-(2-carboxyethyl)-5-[(Z)-(4-ethenyl-3-methyl-5-oxidanylidene-pyrrol-2-ylidene)methyl]-4-methyl-pyrrol-1-ium-2-ylidene]methyl]-5-[(Z)-[(3E)-3-ethylidene-4-methyl-5-oxidanylidene-pyrrolidin-2-ylidene]methyl]-4-methyl-1H-pyrrol-3-yl]propanoic acid
LBW
LBW
表記:3-[2-[(Z)-[5-[(Z)-(4-ethenyl-3-methyl-5-oxidanylidene-pyrrol-2-ylidene)methyl]-3-(3-hydroxy-3-oxopropyl)-4-methyl-pyrrol-1-ium-2-ylidene]methyl]-5-[(Z)-[(3E,4R)-3-ethylidene-4-methyl-5-oxidanylidene-pyrrolidin-2-ylidene]methyl]-4-methyl-1H-pyrrol-3-yl]propanoic acid
組成式:C33 H37 N4 O6
SMILES:CC=C1[CH](C)C(=O)NC1=Cc2[nH]c(C=C3[NH+]=C(C=C4NC(=O)C(=C4C)C=C)C(=C3CCC(O)=O)C)c(CCC(O)=O)c2C
InChi:InChI=1S/C33H36N4O6/c1-7-20-19(6)32(42)37-27(20)14-25-18(5)23(10-12-31(40)41)29(35-25)15-28-22(9-11-30(38)39)17(4)24(34-28)13-26-16(3)21(8-2)33(43)36-26/h7-8,13-15,19,35H,2,9-12H2,1,3-6H3,(H,36,43)(H,37,42)(H,38,39)(H,40,41)/p+1/b20-7+,26-13-,27-14-,28-15-/t19-/m1/s1
定義日:2011-12-31
最終更新日:2024-09-27
識別子（ID）:3-[2-[(Z)-[5-[(Z)-(4-ethenyl-3-methyl-5-oxidanylidene-pyrrol-2-ylidene)methyl]-3-(3-hydroxy-3-oxopropyl)-4-methyl-pyrrol-1-ium-2-ylidene]methyl]-5-[(Z)-[(3E,4R)-3-ethylidene-4-methyl-5-oxidanylidene-pyrrolidin-2-ylidene]methyl]-4-methyl-1H-pyrrol-3-yl]propanoic acid
UAX
UAX
表記:~{tert}-butyl ~{N}-[1-[(2~{S})-3-cyclopropyl-1-oxidanylidene-1-[[(2~{S},3~{S})-3-oxidanyl-4-oxidanylidene-1-[(3~{R})-2-oxidanylidenepyrrolidin-3-yl]-4-[(phenylmethyl)amino]butan-2-yl]amino]propan-2-yl]-2-oxidanylidene-pyridin-3-yl]carbamate
組成式:C31 H41 N5 O7
SMILES:CC(C)(C)OC(=O)NC1=CC=CN([CH](CC2CC2)C(=O)N[CH](C[CH]3CCNC3=O)[CH](O)C(=O)NCc4ccccc4)C1=O
InChi:InChI=1S/C31H41N5O7/c1-31(2,3)43-30(42)35-22-10-7-15-36(29(22)41)24(16-19-11-12-19)27(39)34-23(17-21-13-14-32-26(21)38)25(37)28(40)33-18-20-8-5-4-6-9-20/h4-10,15,19,21,23-25,37H,11-14,16-18H2,1-3H3,(H,32,38)(H,33,40)(H,34,39)(H,35,42)/t21-,23+,24+,25+/m1/s1
別名:(S,S,R)-13b
定義日:2023-01-31
最終更新日:2024-09-27
公開日:2024-08-07
識別子（ID）:~{tert}-butyl ~{N}-[1-[(2~{S})-3-cyclopropyl-1-oxidanylidene-1-[[(2~{S},3~{S})-3-oxidanyl-4-oxidanylidene-1-[(3~{R})-2-oxidanylidenepyrrolidin-3-yl]-4-[(phenylmethyl)amino]butan-2-yl]amino]propan-2-yl]-2-oxidanylidene-pyridin-3-yl]carbamate
PEX
PEX
表記:1,2-DIDECANOYL-SN-GLYCERO-3-PHOSPHOETHANOLAMINE
組成式:C25 H49 N O8 P
SMILES:O=C(OCC(OC(=O)CCCCCCCCC)COP([O-])(=O)OCCN)CCCCCCCCC
InChi:InChI=1S/C25H50NO8P/c1-3-5-7-9-11-13-15-17-24(27)31-21-23(22-33-35(29,30)32-20-19-26)34-25(28)18-16-14-12-10-8-6-4-2/h23H,3-22,26H2,1-2H3,(H,29,30)/p-1/t23-/m1/s1
定義日:2004-08-02
最終更新日:2024-09-27
識別子（ID）:2-aminoethyl (2R)-2,3-bis(decanoyloxy)propyl phosphate

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