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THC
THC
表記:N-METHYLCARBONYLTHREONINE
組成式:C6 H11 N O4
SMILES:O=C(O)C(NC(=O)C)C(O)C
InChi:InChI=1S/C6H11NO4/c1-3(8)5(6(10)11)7-4(2)9/h3,5,8H,1-2H3,(H,7,9)(H,10,11)/t3-,5+/m1/s1
定義日:1999-07-08
最終更新日:2024-09-27
識別子（ID）:N-acetyl-L-threonine
QOH
QOH
表記:11-methyl-~{N}-[(2~{S},3~{R})-1-[[(5~{S},8~{S},10~{S})-5-methyl-10-oxidanyl-2,7-bis(oxidanylidene)-1,6-diazacyclododec-8-yl]amino]-3-oxidanyl-1-oxidanylidene-butan-2-yl]dodecanamide
組成式:C28 H52 N4 O6
SMILES:CC(C)CCCCCCCCCC(=O)N[CH]([CH](C)O)C(=O)N[CH]1C[CH](O)CCNC(=O)CC[CH](C)NC1=O
InChi:InChI=1S/C28H52N4O6/c1-19(2)12-10-8-6-5-7-9-11-13-25(36)32-26(21(4)33)28(38)31-23-18-22(34)16-17-29-24(35)15-14-20(3)30-27(23)37/h19-23,26,33-34H,5-18H2,1-4H3,(H,29,35)(H,30,37)(H,31,38)(H,32,36)/t20-,21+,22-,23-,26-/m0/s1
別名:Syrbactin inhibitor
定義日:2020-07-09
最終更新日:2024-09-27
公開日:2021-05-19
識別子（ID）:11-methyl-~{N}-[(2~{S},3~{R})-1-[[(5~{S},8~{S},10~{S})-5-methyl-10-oxidanyl-2,7-bis(oxidanylidene)-1,6-diazacyclododec-8-yl]amino]-3-oxidanyl-1-oxidanylidene-butan-2-yl]dodecanamide
TX2
TX2
表記:5'-O-{(R)-hydroxy[(2-sulfanylethyl)amino]phosphoryl}thymidine
組成式:C12 H20 N3 O7 P S
SMILES:O=P(O)(OCC2OC(N1C(=O)NC(=O)C(=C1)C)CC2O)NCCS
InChi:InChI=1S/C12H20N3O7PS/c1-7-5-15(12(18)14-11(7)17)10-4-8(16)9(22-10)6-21-23(19,20)13-2-3-24/h5,8-10,16,24H,2-4,6H2,1H3,(H2,13,19,20)(H,14,17,18)/t8-,9+,10+/m0/s1
定義日:2009-10-01
最終更新日:2024-09-27
識別子（ID）:5'-O-{(R)-hydroxy[(2-sulfanylethyl)amino]phosphoryl}thymidine
QAC
QAC
表記:N-[4-(hydroxymethyl)benzoyl]-beta-alanine
組成式:C11 H13 N O4
SMILES:O=C(O)CCNC(=O)c1ccc(cc1)CO
InChi:InChI=1S/C11H13NO4/c13-7-8-1-3-9(4-2-8)11(16)12-6-5-10(14)15/h1-4,13H,5-7H2,(H,12,16)(H,14,15)
定義日:2014-10-01
最終更新日:2024-09-27
公開日:2014-12-03
識別子（ID）:N-[4-(hydroxymethyl)benzoyl]-beta-alanine
SOA
SOA
表記:ISATOIC ANHYDRIDE
組成式:C7 H9 N O
SMILES:OCc1ccccc1N
InChi:InChI=1S/C7H9NO/c8-7-4-2-1-3-6(7)5-9/h1-4,9H,5,8H2
定義日:1999-07-08
最終更新日:2024-09-27
識別子（ID）:(2-aminophenyl)methanol
QOK
QOK
表記:7-(2-methoxyethoxymethyl)-1,3-dimethyl-purine-2,6-dione
組成式:C11 H16 N4 O4
SMILES:COCCOCn1cnc2N(C)C(=O)N(C)C(=O)c12
InChi:InChI=1S/C11H16N4O4/c1-13-9-8(10(16)14(2)11(13)17)15(6-12-9)7-19-5-4-18-3/h6H,4-5,7H2,1-3H3
定義日:2020-07-13
最終更新日:2024-09-27
公開日:2020-12-16
識別子（ID）:7-(2-methoxyethoxymethyl)-1,3-dimethyl-purine-2,6-dione
RGI
RGI
表記:METHYLCARBAMIC ACID
組成式:C2 H5 N O2
SMILES:O=C(O)NC
InChi:InChI=1S/C2H5NO2/c1-3-2(4)5/h3H,1H3,(H,4,5)
定義日:2002-06-19
最終更新日:2024-09-27
識別子（ID）:methylcarbamic acid
TX6
TX6
表記:(6aS,7S,10aS)-8-hydroxy-4-methoxy-2,7,10a-trimethyl-5,6,6a,7,10,10a-hexahydrobenzo[h]quinazoline-9-carbonitrile
組成式:C17 H21 N3 O2
SMILES:N#CC1=C(C(C3C(C1)(C)c2nc(C)nc(c2CC3)OC)C)O
InChi:InChI=1S/C17H21N3O2/c1-9-13-6-5-12-15(19-10(2)20-16(12)22-4)17(13,3)7-11(8-18)14(9)21/h9,13,21H,5-7H2,1-4H3/t9-,13-,17-/m0/s1
定義日:2015-08-20
最終更新日:2024-09-27
公開日:2016-08-10
識別子（ID）:(6aS,7S,10aS)-8-hydroxy-4-methoxy-2,7,10a-trimethyl-5,6,6a,7,10,10a-hexahydrobenzo[h]quinazoline-9-carbonitrile
THJ
THJ
表記:THIOSULFATE
組成式:O3 S2
SMILES:[O-]S([S-])(=O)=O
InChi:InChI=1S/H2O3S2/c1-5(2,3)4/h(H2,1,2,3,4)/p-2
定義日:1999-07-08
最終更新日:2024-09-27
識別子（ID）:thiosulfate
QON
QON
表記:N-[1-(2-Chloroacetyl)piperidin-4-yl]-5-cyclopropyl-1,2-oxazole-3-carboxamide
組成式:C14 H18 Cl N3 O3
SMILES:ClCC(=O)N1CCC(CC1)NC(=O)c2cc(on2)C3CC3
InChi:InChI=1S/C14H18ClN3O3/c15-8-13(19)18-5-3-10(4-6-18)16-14(20)11-7-12(21-17-11)9-1-2-9/h7,9-10H,1-6,8H2,(H,16,20)
別名:~{N}-[1-(2-chloranylethanoyl)piperidin-4-yl]-5-cyclopropyl-1,2-oxazole-3-carboxamide
定義日:2020-07-13
最終更新日:2024-09-27
公開日:2022-07-27
識別子（ID）:~{N}-[1-(2-chloranylethanoyl)piperidin-4-yl]-5-cyclopropyl-1,2-oxazole-3-carboxamide
OMC
OMC
表記:O2'-METHYLYCYTIDINE-5'-MONOPHOSPHATE
組成式:C10 H16 N3 O8 P
SMILES:O=C1N=C(N)C=CN1C2OC(C(O)C2OC)COP(=O)(O)O
InChi:InChI=1S/C10H16N3O8P/c1-19-8-7(14)5(4-20-22(16,17)18)21-9(8)13-3-2-6(11)12-10(13)15/h2-3,5,7-9,14H,4H2,1H3,(H2,11,12,15)(H2,16,17,18)/t5-,7-,8-,9-/m1/s1
定義日:1999-07-08
最終更新日:2024-09-27
識別子（ID）:2'-O-methylcytidine 5'-(dihydrogen phosphate)
PFV
PFV
表記:(6R,7S,10Z)-10-(2-amino-1,3-thiazol-4-yl)-1-(1,5-dihydroxy-4-oxo-1,4-dihydropyridin-2-yl)-7-formyl-13,13-dimethyl-3,9-dioxo-6-(sulfoamino)-12-oxa-2,4,8,11-tetraazatetradec-10-en-14-oic acid
組成式:C20 H26 N8 O12 S2
SMILES:O=C1C=C(N(O)C=C1O)CNC(=O)NCC(NS(=O)(=O)O)C(C=O)NC(=O)C(=NOC(C(=O)O)(C)C)/c2nc(sc2)N
InChi:InChI=1S/C20H26N8O12S2/c1-20(2,17(33)34)40-26-15(12-8-41-18(21)25-12)16(32)24-11(7-29)10(27-42(37,38)39)5-23-19(35)22-4-9-3-13(30)14(31)6-28(9)36/h3,6-8,10-11,27,31,36H,4-5H2,1-2H3,(H2,21,25)(H,24,32)(H,33,34)(H2,22,23,35)(H,37,38,39)/b26-15-/t10-,11-/m1/s1
定義日:2013-07-23
最終更新日:2024-09-27
公開日:2013-08-21
識別子（ID）:(6R,7S,10Z)-10-(2-amino-1,3-thiazol-4-yl)-1-(1,5-dihydroxy-4-oxo-1,4-dihydropyridin-2-yl)-7-formyl-13,13-dimethyl-3,9-dioxo-6-(sulfoamino)-12-oxa-2,4,8,11-tetraazatetradec-10-en-14-oic acid
P2D
P2D
表記:pentane-2,4-dione
組成式:C5 H8 O2
SMILES:O=C(C)CC(=O)C
InChi:InChI=1S/C5H8O2/c1-4(6)3-5(2)7/h3H2,1-2H3
定義日:2013-11-27
最終更新日:2024-09-27
公開日:2014-09-24
識別子（ID）:pentane-2,4-dione
M6L
M6L
表記:(phenylmethyl) ~{N}-[(2~{S})-4-methyl-1-oxidanylidene-1-[[(2~{S},3~{S})-2-oxidanyl-1-oxidanylidene-1-(pyridin-2-ylmethylamino)hexan-3-yl]amino]pentan-2-yl]carbamate
組成式:C26 H36 N4 O5
SMILES:CCC[CH](NC(=O)[CH](CC(C)C)NC(=O)OCc1ccccc1)[CH](O)C(=O)NCc2ccccn2
InChi:InChI=1S/C26H36N4O5/c1-4-10-21(23(31)25(33)28-16-20-13-8-9-14-27-20)29-24(32)22(15-18(2)3)30-26(34)35-17-19-11-6-5-7-12-19/h5-9,11-14,18,21-23,31H,4,10,15-17H2,1-3H3,(H,28,33)(H,29,32)(H,30,34)/t21-,22-,23-/m0/s1
定義日:2022-07-25
最終更新日:2024-09-27
公開日:2023-08-02
識別子（ID）:(phenylmethyl) ~{N}-[(2~{S})-4-methyl-1-oxidanylidene-1-[[(2~{S},3~{S})-2-oxidanyl-1-oxidanylidene-1-(pyridin-2-ylmethylamino)hexan-3-yl]amino]pentan-2-yl]carbamate
RGL
RGL
表記:ARGINAL
組成式:C6 H15 N4 O
SMILES:O=CC(N)CCCNC(=[NH2+])N
InChi:InChI=1S/C6H14N4O/c7-5(4-11)2-1-3-10-6(8)9/h4-5H,1-3,7H2,(H4,8,9,10)/p+1/t5-/m0/s1
定義日:2010-05-18
最終更新日:2024-09-27
識別子（ID）:amino{[(4S)-4-amino-5-oxopentyl]amino}methaniminium
PFX
PFX
表記:2-[2-(2-azanylethoxy)ethoxy]ethanoic acid
組成式:C6 H13 N O4
SMILES:NCCOCCOCC(O)=O
InChi:InChI=1S/C6H13NO4/c7-1-2-10-3-4-11-5-6(8)9/h1-5,7H2,(H,8,9)
定義日:2008-10-17
最終更新日:2024-09-27
識別子（ID）:2-[2-(2-azanylethoxy)ethoxy]ethanoic acid
LCW
LCW
表記:2-[4-[(6-ethenyl-9~{H}-purin-2-yl)amino]phenyl]ethanamide
組成式:C15 H14 N6 O
SMILES:NC(=O)Cc1ccc(Nc2nc3[nH]cnc3c(C=C)n2)cc1
InChi:InChI=1S/C15H14N6O/c1-2-11-13-14(18-8-17-13)21-15(20-11)19-10-5-3-9(4-6-10)7-12(16)22/h2-6,8H,1,7H2,(H2,16,22)(H2,17,18,19,20,21)
定義日:2019-08-05
最終更新日:2024-09-27
公開日:2020-06-17
識別子（ID）:2-[4-[(6-ethenyl-9~{H}-purin-2-yl)amino]phenyl]ethanamide
OMG
OMG
表記:O2'-METHYLGUANOSINE-5'-MONOPHOSPHATE
組成式:C11 H16 N5 O8 P
SMILES:O=C1c2ncn(c2N=C(N)N1)C3OC(C(O)C3OC)COP(=O)(O)O
InChi:InChI=1S/C11H16N5O8P/c1-22-7-6(17)4(2-23-25(19,20)21)24-10(7)16-3-13-5-8(16)14-11(12)15-9(5)18/h3-4,6-7,10,17H,2H2,1H3,(H2,19,20,21)(H3,12,14,15,18)/t4-,6-,7-,10-/m1/s1
定義日:1999-07-08
最終更新日:2024-09-27
識別子（ID）:2'-O-methylguanosine 5'-(dihydrogen phosphate)
THO
THO
表記:REDUCED THREONINE
組成式:C4 H11 N O2
SMILES:OCC(N)C(O)C
InChi:InChI=1S/C4H11NO2/c1-3(7)4(5)2-6/h3-4,6-7H,2,5H2,1H3/t3-,4-/m1/s1
定義日:1999-07-08
最終更新日:2024-09-27
識別子（ID）:(2R,3R)-2-aminobutane-1,3-diol
LCY
LCY
表記:1-methylpyrrolidine-2,5-dione
組成式:C5 H7 N O2
SMILES:O=C1N(C(=O)CC1)C
InChi:InChI=1S/C5H7NO2/c1-6-4(7)2-3-5(6)8/h2-3H2,1H3
定義日:2009-05-22
最終更新日:2024-09-27
識別子（ID）:1-methylpyrrolidine-2,5-dione
OMH
OMH
表記:O-[(S)-hydroxy(methoxy)phosphoryl]-L-serine
組成式:C4 H10 N O6 P
SMILES:O=P(O)(OC)OCC(N)C(=O)O
InChi:InChI=1S/C4H10NO6P/c1-10-12(8,9)11-2-3(5)4(6)7/h3H,2,5H2,1H3,(H,6,7)(H,8,9)/t3-/m0/s1
定義日:2009-02-27
最終更新日:2024-09-27
識別子（ID）:O-[(S)-hydroxy(methoxy)phosphoryl]-L-serine
RGP
RGP
表記:GAMMA-GLUTAMYL PHOSPHATE
組成式:C5 H10 N O7 P
SMILES:O=C(OP(=O)(O)O)CCC(C(=O)O)N
InChi:InChI=1S/C5H10NO7P/c6-3(5(8)9)1-2-4(7)13-14(10,11)12/h3H,1-2,6H2,(H,8,9)(H2,10,11,12)/t3-/m1/s1
別名:5-OXO-5-(PHOSPHONOOXY)-D-NORVALINE
定義日:2005-07-20
最終更新日:2024-09-27
識別子（ID）:5-oxo-5-(phosphonooxy)-D-norvaline
QAO
QAO
表記:2-chloro-N-[(1R)-2-{[2-(3-fluorophenyl)ethyl]amino}-2-oxo-1-(pyridin-3-yl)ethyl]-N-[4-(pentafluoro-lambda~6~-sulfanyl)phenyl]acetamide
組成式:C23 H19 Cl2 F6 N3 O2 S
SMILES:FS(F)(F)(F)(F)c1ccc(cc1)N(C(=O)C(Cl)Cl)C(c1cccnc1)C(=O)NCCc1cccc(F)c1
InChi:InChI=1S/C23H19Cl2F6N3O2S/c24-21(25)23(36)34(18-6-8-19(9-7-18)37(27,28,29,30)31)20(16-4-2-11-32-14-16)22(35)33-12-10-15-3-1-5-17(26)13-15/h1-9,11,13-14,20-21H,10,12H2,(H,33,35)/t20-/m1/s1
定義日:2022-06-03
最終更新日:2024-09-27
公開日:2023-06-07
識別子（ID）:2,2-dichloro-N-[(1R)-2-{[2-(3-fluorophenyl)ethyl]amino}-2-oxo-1-(pyridin-3-yl)ethyl]-N-[4-(pentafluoro-lambda~6~-sulfanyl)phenyl]acetamide
LD0
LD0
表記:(2R,4S,5R)-2-[(1R)-1-{[(2Z)-2-(2-amino-1,3-thiazol-4-yl)-2-(methoxyimino)acetyl]amino}-2-oxoethyl]-5-(sulfanylmethyl)-1,3-thiazinane-4-carboxylic acid
組成式:C14 H19 N5 O5 S3
SMILES:SCC1CSC(NC1C(=O)O)C(C=O)NC(=O)C(=NOC)/c1csc(N)n1
InChi:InChI=1S/C14H19N5O5S3/c1-24-19-10(8-5-27-14(15)17-8)11(21)16-7(2-20)12-18-9(13(22)23)6(3-25)4-26-12/h2,5-7,9,12,18,25H,3-4H2,1H3,(H2,15,17)(H,16,21)(H,22,23)/b19-10-/t6-,7-,9+,12-/m1/s1
定義日:2022-03-01
最終更新日:2024-09-27
公開日:2022-05-25
識別子（ID）:(2R,4S,5R)-2-[(1R)-1-{[(2Z)-2-(2-amino-1,3-thiazol-4-yl)-2-(methoxyimino)acetyl]amino}-2-oxoethyl]-5-(sulfanylmethyl)-1,3-thiazinane-4-carboxylic acid
P2J
P2J
表記:9-(5-{[(3S)-3-amino-3-carboxypropyl](pentyl)amino}-5-deoxy-beta-L-arabinofuranosyl)-9H-purin-6-amine
組成式:C19 H31 N7 O5
SMILES:c2nc(N)c3ncn(C1OC(C(O)C1O)CN(CCC(C(O)=O)N)CCCCC)c3n2
InChi:InChI=1S/C19H31N7O5/c1-2-3-4-6-25(7-5-11(20)19(29)30)8-12-14(27)15(28)18(31-12)26-10-24-13-16(21)22-9-23-17(13)26/h9-12,14-15,18,27-28H,2-8,20H2,1H3,(H,29,30)(H2,21,22,23)/t11-,12-,14-,15+,18-/m0/s1
定義日:2019-07-25
最終更新日:2024-09-27
公開日:2020-08-19
識別子（ID）:9-(5-{[(3S)-3-amino-3-carboxypropyl](pentyl)amino}-5-deoxy-beta-L-arabinofuranosyl)-9H-purin-6-amine

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