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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
7J8
7J8
表記:3-[4-(2-hydroxy-2-oxoethyl)-5-[[4-(2-hydroxy-2-oxoethyl)-5-[[4-(2-hydroxy-2-oxoethyl)-5-[[4-(2-hydroxy-2-oxoethyl)-3-(3-hydroxy-3-oxopropyl)-5-methyl-1~{H}-pyrrol-2-yl]methyl]-3-(3-hydroxy-3-oxopropyl)-1~{H}-pyrrol-2-yl]methyl]-3-(3-hydroxy-3-oxopropyl)-1~{H}-pyrrol-2-yl]methyl]-1~{H}-pyrrol-3-yl]propanoic acid
組成式:C40 H46 N4 O16
SMILES:Cc1[nH]c(Cc2[nH]c(Cc3[nH]c(Cc4[nH]cc(CCC(O)=O)c4CC(O)=O)c(CCC(O)=O)c3CC(O)=O)c(CCC(O)=O)c2CC(O)=O)c(CCC(O)=O)c1CC(O)=O
InChi:InChI=1S/C40H46N4O16/c1-18-23(10-37(53)54)20(3-7-34(47)48)28(42-18)15-31-26(13-40(59)60)22(5-9-36(51)52)30(44-31)16-32-25(12-39(57)58)21(4-8-35(49)50)29(43-32)14-27-24(11-38(55)56)19(17-41-27)2-6-33(45)46/h17,41-44H,2-16H2,1H3,(H,45,46)(H,47,48)(H,49,50)(H,51,52)(H,53,54)(H,55,56)(H,57,58)(H,59,60)
定義日:2016-11-01
最終更新日:2024-09-27
公開日:2017-11-15
識別子（ID）:3-[4-(2-hydroxy-2-oxoethyl)-5-[[4-(2-hydroxy-2-oxoethyl)-5-[[4-(2-hydroxy-2-oxoethyl)-5-[[4-(2-hydroxy-2-oxoethyl)-3-(3-hydroxy-3-oxopropyl)-5-methyl-1~{H}-pyrrol-2-yl]methyl]-3-(3-hydroxy-3-oxopropyl)-1~{H}-pyrrol-2-yl]methyl]-3-(3-hydroxy-3-oxopropyl)-1~{H}-pyrrol-2-yl]methyl]-1~{H}-pyrrol-3-yl]propanoic acid
MNB
MNB
表記:5-MERCAPTO-2-NITRO-BENZOIC ACID
組成式:C7 H5 N O4 S
SMILES:O=[N+]([O-])c1c(cc(S)cc1)C(=O)O
InChi:InChI=1S/C7H5NO4S/c9-7(10)5-3-4(13)1-2-6(5)8(11)12/h1-3,13H,(H,9,10)
定義日:2000-06-08
最終更新日:2024-09-27
識別子（ID）:2-nitro-5-sulfanylbenzoic acid
MNO
MNO
表記:(3S)-N-METHANESULFONYL-3-({1-[N-(2-NAPHTOYL)-L-VALYL]-L-PROLYL}AMINO)-4-OXOBUTANAMIDE
組成式:C26 H32 N4 O7 S
SMILES:O=C(NC(C=O)CC(=O)NS(=O)(=O)C)C3N(C(=O)C(NC(=O)c2cc1ccccc1cc2)C(C)C)CCC3
InChi:InChI=1S/C26H32N4O7S/c1-16(2)23(28-24(33)19-11-10-17-7-4-5-8-18(17)13-19)26(35)30-12-6-9-21(30)25(34)27-20(15-31)14-22(32)29-38(3,36)37/h4-5,7-8,10-11,13,15-16,20-21,23H,6,9,12,14H2,1-3H3,(H,27,34)(H,28,33)(H,29,32)/t20-,21-,23-/m0/s1
定義日:1999-07-08
最終更新日:2024-09-27
識別子（ID）:N-(naphthalen-2-ylcarbonyl)-L-valyl-N-{(1S)-1-formyl-3-[(methylsulfonyl)amino]-3-oxopropyl}-L-prolinamide
7JZ
7JZ
表記:2-deoxy-2,2-difluoro-beta-D-lyxo-hexopyranose
組成式:C6 H10 F2 O5
SMILES:FC1(F)C(O)C(O)C(OC1O)CO
InChi:InChI=1S/C6H10F2O5/c7-6(8)4(11)3(10)2(1-9)13-5(6)12/h2-5,9-12H,1H2/t2-,3+,4+,5-/m1/s1
別名:2-DEOXY-2,2-DIFLUORO-BETA-D-GALACTOPYRANOSYL-ENZYME INTERMEDIATE
定義日:2009-05-19
最終更新日:2024-09-27
識別子（ID）:2-deoxy-2,2-difluoro-beta-D-lyxo-hexopyranose
7K8
7K8
表記:[(2~{R},3~{S},5~{R})-5-[(4~{E})-4-hydroxyimino-2-oxidanylidene-1,3-diazinan-1-yl]-3-oxidanyl-oxolan-2-yl]methyl dihydrogen phosphate
組成式:C9 H16 N3 O8 P
SMILES:ON=C1CCN([CH]2C[CH](O)[CH](CO[P](O)(O)=O)O2)C(=O)N1
InChi:InChI=1S/C9H16N3O8P/c13-5-3-8(20-6(5)4-19-21(16,17)18)12-2-1-7(11-15)10-9(12)14/h5-6,8,13,15H,1-4H2,(H,10,11,14)(H2,16,17,18)/t5-,6+,8+/m0/s1
定義日:2016-11-03
最終更新日:2024-09-27
公開日:2017-12-20
識別子（ID）:[(2~{R},3~{S},5~{R})-5-[(4~{E})-4-hydroxyimino-2-oxidanylidene-1,3-diazinan-1-yl]-3-oxidanyl-oxolan-2-yl]methyl dihydrogen phosphate
MOH
MOH
表記:METHANOL
組成式:C H4 O
SMILES:OC
InChi:InChI=1S/CH4O/c1-2/h2H,1H3
定義日:1999-07-08
最終更新日:2024-09-27
識別子（ID）:methanol
7KH
7KH
表記:~{N}-cyclopentyl-~{N}-(imidazo[1,2-a]pyridin-2-ylmethyl)-4-(iminomethyl)-6-morpholin-4-yl-1,3,5-triazin-2-amine
組成式:C21 H26 N8 O
SMILES:N=Cc1nc(nc(n1)N(Cc2cn3ccccc3n2)C4CCCC4)N5CCOCC5
InChi:InChI=1S/C21H26N8O/c22-13-18-24-20(27-9-11-30-12-10-27)26-21(25-18)29(17-5-1-2-6-17)15-16-14-28-8-4-3-7-19(28)23-16/h3-4,7-8,13-14,17,22H,1-2,5-6,9-12,15H2/b22-13+
定義日:2016-11-04
最終更新日:2024-09-27
公開日:2017-01-11
識別子（ID）:~{N}-cyclopentyl-~{N}-(imidazo[1,2-a]pyridin-2-ylmethyl)-4-(iminomethyl)-6-morpholin-4-yl-1,3,5-triazin-2-amine
7KN
7KN
表記:[4-[cyclopentyl(pyrazin-2-ylmethyl)amino]-6-morpholin-4-yl-1,3,5-triazin-2-yl]methylideneazanide
組成式:C18 H23 N8 O
SMILES:[N-]=Cc1nc(nc(n1)N(Cc2cnccn2)C3CCCC3)N4CCOCC4
InChi:InChI=1S/C18H23N8O/c19-11-16-22-17(25-7-9-27-10-8-25)24-18(23-16)26(15-3-1-2-4-15)13-14-12-20-5-6-21-14/h5-6,11-12,15H,1-4,7-10,13H2/q-1
定義日:2016-11-04
最終更新日:2024-09-27
公開日:2017-01-11
識別子（ID）:[4-[cyclopentyl(pyrazin-2-ylmethyl)amino]-6-morpholin-4-yl-1,3,5-triazin-2-yl]methylideneazanide
MOV
MOV
表記:AMG 510 (bound form)
組成式:C30 H32 F2 N6 O3
SMILES:CC1N(CCN(C1)C(=O)CC)C3=NC(=O)N(c2c(nccc2C)C(C)C)c4c3cc(F)c(n4)c5c(F)cccc5O
InChi:InChI=1S/C30H32F2N6O3/c1-6-23(40)36-12-13-37(18(5)15-36)28-19-14-21(32)26(24-20(31)8-7-9-22(24)39)34-29(19)38(30(41)35-28)27-17(4)10-11-33-25(27)16(2)3/h7-11,14,16,18,39H,6,12-13,15H2,1-5H3/t18-/m0/s1
別名:6-fluoro-7-(2-fluoro-6-hydroxyphenyl)-4-[(2S)-2-methyl-4-propanoylpiperazin-1-yl]-1-[4-methyl-2-(propan-2-yl)pyridin-3-yl]pyrido[2,3-d]pyrimidin-2(1H)-one
定義日:2019-04-10
最終更新日:2024-09-27
公開日:2019-11-06
識別子（ID）:6-fluoro-7-(2-fluoro-6-hydroxyphenyl)-4-[(2S)-2-methyl-4-propanoylpiperazin-1-yl]-1-[4-methyl-2-(propan-2-yl)pyridin-3-yl]pyrido[2,3-d]pyrimidin-2(1H)-one
7KU
7KU
表記:1-{(3R)-3-[(7H-pyrrolo[2,3-d]pyrimidin-4-yl)amino]piperidin-1-yl}propan-1-one
組成式:C14 H19 N5 O
SMILES:n3c2ncnc(NC1CCCN(C1)C(CC)=O)c2cc3
InChi:InChI=1S/C14H19N5O/c1-2-12(20)19-7-3-4-10(8-19)18-14-11-5-6-15-13(11)16-9-17-14/h5-6,9-10H,2-4,7-8H2,1H3,(H2,15,16,17,18)/t10-/m1/s1
定義日:2016-11-07
最終更新日:2024-09-27
公開日:2017-02-22
識別子（ID）:1-{(3R)-3-[(7H-pyrrolo[2,3-d]pyrimidin-4-yl)amino]piperidin-1-yl}propan-1-one
MOX
MOX
表記:(2R)-2-[(1R)-1-{[(2S)-2-carboxy-2-(4-hydroxyphenyl)acetyl]amino}-1-methoxy-2-oxoethyl]-5-methylidene-5,6-dihydro-2H-1,3-oxazine-4-carboxylic acid
組成式:C18 H18 N2 O9
SMILES:O=C(O)C(c1ccc(O)cc1)C(=O)NC(OC)(C=O)C2N=C(C(=C)CO2)C(=O)O
InChi:InChI=1S/C18H18N2O9/c1-9-7-29-17(19-13(9)16(26)27)18(8-21,28-2)20-14(23)12(15(24)25)10-3-5-11(22)6-4-10/h3-6,8,12,17,22H,1,7H2,2H3,(H,20,23)(H,24,25)(H,26,27)/t12-,17+,18-/m0/s1
別名:MOXALACTAM DERIVATIVE (open form)
定義日:2000-08-11
最終更新日:2024-09-27
識別子（ID）:(2R)-2-[(1R)-1-{[(2S)-2-carboxy-2-(4-hydroxyphenyl)acetyl]amino}-1-methoxy-2-oxoethyl]-5-methylidene-5,6-dihydro-2H-1,3-oxazine-4-carboxylic acid
7KV
7KV
表記:1-[(3aR,7aR)-1-(7H-pyrrolo[2,3-d]pyrimidin-4-yl)octahydro-6H-pyrrolo[2,3-c]pyridin-6-yl]propan-1-one
組成式:C16 H21 N5 O
SMILES:n2c1ncnc(c1cc2)N3CCC4C3CN(C(=O)CC)CC4
InChi:InChI=1S/C16H21N5O/c1-2-14(22)20-7-4-11-5-8-21(13(11)9-20)16-12-3-6-17-15(12)18-10-19-16/h3,6,10-11,13H,2,4-5,7-9H2,1H3,(H,17,18,19)/t11-,13-/m0/s1
定義日:2016-11-07
最終更新日:2024-09-27
公開日:2017-02-22
識別子（ID）:1-[(3aR,7aR)-1-(7H-pyrrolo[2,3-d]pyrimidin-4-yl)octahydro-6H-pyrrolo[2,3-c]pyridin-6-yl]propan-1-one
7KX
7KX
表記:N-[3-(7H-pyrrolo[2,3-d]pyrimidin-4-yl)phenyl]propanamide
組成式:C15 H14 N4 O
SMILES:n2cnc(c1cccc(c1)NC(CC)=O)c3c2ncc3
InChi:InChI=1S/C15H14N4O/c1-2-13(20)19-11-5-3-4-10(8-11)14-12-6-7-16-15(12)18-9-17-14/h3-9H,2H2,1H3,(H,19,20)(H,16,17,18)
定義日:2016-11-07
最終更新日:2024-09-27
公開日:2017-02-22
識別子（ID）:N-[3-(7H-pyrrolo[2,3-d]pyrimidin-4-yl)phenyl]propanamide
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
7LE
7LE
表記:(5Z,8Z,11Z,14R,15R,17Z)-14,15-dihydroxyicosa-5,8,11,17-tetraenoic acid
組成式:C20 H32 O4
SMILES:[C@H](CC=C/CC(O)C(CC=[C@H]CC)O)=[C@H]C[C@H]=CCCCC(=O)O
InChi:InChI=1S/C20H32O4/c1-2-3-12-15-18(21)19(22)16-13-10-8-6-4-5-7-9-11-14-17-20(23)24/h3-4,6-7,9-10,12-13,18-19,21-22H,2,5,8,11,14-17H2,1H3,(H,23,24)/b6-4?,9-7-,12-3-,13-10-/t18-,19-/m1/s1
定義日:2016-11-10
最終更新日:2024-09-27
公開日:2017-10-11
識別子（ID）:(5Z,8Z,11Z,14R,15R,17Z)-14,15-dihydroxyicosa-5,8,11,17-tetraenoic acid
MPR
MPR
表記:2-MERCAPTO-PROPION ALDEHYDE
組成式:C3 H6 O S
SMILES:O=CCCS
InChi:InChI=1S/C3H6OS/c4-2-1-3-5/h2,5H,1,3H2
定義日:1999-07-08
最終更新日:2024-09-27
識別子（ID）:3-sulfanylpropanal
MQ2
MQ2
表記:~{N}-[3-[[4-[(4-bromophenyl)methyl]piperazin-1-yl]methyl]phenyl]-2-ethyl-2-methanoyl-butanamide
組成式:C25 H32 Br N3 O2
SMILES:CCC(CC)(C=O)C(=O)Nc1cccc(CN2CCN(CC2)Cc3ccc(Br)cc3)c1
InChi:InChI=1S/C25H32BrN3O2/c1-3-25(4-2,19-30)24(31)27-23-7-5-6-21(16-23)18-29-14-12-28(13-15-29)17-20-8-10-22(26)11-9-20/h5-11,16,19H,3-4,12-15,17-18H2,1-2H3,(H,27,31)
定義日:2019-10-19
最終更新日:2024-09-27
公開日:2021-07-14
識別子（ID）:~{N}-[3-[[4-[(4-bromophenyl)methyl]piperazin-1-yl]methyl]phenyl]-2-ethyl-2-methanoyl-butanamide
MQ4
MQ4
表記:(1S)-3-amino-4-[(2S)-1,1,1-trifluoro-3-oxopropan-2-yl]cyclopent-3-ene-1-carboxylic acid
組成式:C9 H10 F3 N O3
SMILES:C(C(C=O)C=1CC(CC=1N)C(=O)O)(F)(F)F
InChi:InChI=1S/C9H10F3NO3/c10-9(11,12)6(3-14)5-1-4(8(15)16)2-7(5)13/h3-4,6H,1-2,13H2,(H,15,16)/t4-,6+/m0/s1
定義日:2019-04-10
最終更新日:2024-09-27
公開日:2019-09-18
識別子（ID）:(1S)-3-amino-4-[(2S)-1,1,1-trifluoro-3-oxopropan-2-yl]cyclopent-3-ene-1-carboxylic acid
7MG
7MG
表記:7N-METHYL-8-HYDROGUANOSINE-5'-MONOPHOSPHATE
組成式:C11 H18 N5 O8 P
SMILES:O=C1C=2N(CN(C=2N=C(N)N1)C3OC(C(O)C3O)COP(=O)(O)O)C
InChi:InChI=1S/C11H18N5O8P/c1-15-3-16(8-5(15)9(19)14-11(12)13-8)10-7(18)6(17)4(24-10)2-23-25(20,21)22/h4,6-7,10,17-18H,2-3H2,1H3,(H2,20,21,22)(H3,12,13,14,19)/t4-,6-,7-,10-/m1/s1
定義日:1999-07-08
最終更新日:2024-09-27
識別子（ID）:7-methylguanosine 5'-(dihydrogen phosphate)
MQQ
MQQ
表記:N-[(1S)-1-[({(1S)-3-PHENYL-1-[2-(PHENYLSULFONYL)ETHYL]PROPYL}AMINO)CARBONYL]-3-(PHENYLSULFONYL)PROPYL]MORPHOLINE-4-CARBOXAMIDE
組成式:C32 H39 N3 O7 S2
SMILES:O=C(NC(C(=O)NC(CCS(=O)(=O)c1ccccc1)CCc2ccccc2)CCS(=O)(=O)c3ccccc3)N4CCOCC4
InChi:InChI=1S/C32H39N3O7S2/c36-31(30(34-32(37)35-20-22-42-23-21-35)19-25-44(40,41)29-14-8-3-9-15-29)33-27(17-16-26-10-4-1-5-11-26)18-24-43(38,39)28-12-6-2-7-13-28/h1-15,27,30H,16-25H2,(H,33,36)(H,34,37)/t27-,30-/m0/s1
定義日:2006-03-13
最終更新日:2024-09-27
識別子（ID）:N-[(1S)-1-({(1S)-3-phenyl-1-[2-(phenylsulfonyl)ethyl]propyl}carbamoyl)-3-(phenylsulfonyl)propyl]morpholine-4-carboxamide
7MS
7MS
表記:(5Z,8Z,11Z,14Z,17R,18R)-17,18-dihydroxyicosa-5,8,11,14-tetraenoic acid
組成式:C20 H32 O4
SMILES:CCC(O)C(O)C[C@H]=CC[C@H]=[C@H]C[C@H]=[C@H]C/C=CCCCC(O)=O
InChi:InChI=1S/C20H32O4/c1-2-18(21)19(22)16-14-12-10-8-6-4-3-5-7-9-11-13-15-17-20(23)24/h3,5-6,8-9,11-12,14,18-19,21-22H,2,4,7,10,13,15-17H2,1H3,(H,23,24)/b5-3-,8-6-,11-9-,14-12-/t18-,19-/m1/s1
定義日:2016-11-16
最終更新日:2024-09-27
公開日:2017-10-11
識別子（ID）:(5Z,8Z,11Z,14Z,17R,18R)-17,18-dihydroxyicosa-5,8,11,14-tetraenoic acid
7N0
7N0
表記:2-[(1~{S})-2-oxidanylidenecyclopentyl]ethanoic acid
組成式:C7 H10 O3
SMILES:OC(=O)C[CH]1CCCC1=O
InChi:InChI=1S/C7H10O3/c8-6-3-1-2-5(6)4-7(9)10/h5H,1-4H2,(H,9,10)/t5-/m0/s1
定義日:2016-11-22
最終更新日:2024-09-27
公開日:2018-11-07
識別子（ID）:2-[(1~{S})-2-oxidanylidenecyclopentyl]ethanoic acid
7N4
7N4
表記:{3-chloro-4-[(2-fluorophenyl)methoxy]phenyl}borinic acid
組成式:C13 H11 B Cl F O2
SMILES:B(c1cc(c(cc1)OCc2ccccc2F)Cl)O
InChi:InChI=1S/C13H11BClFO2/c15-11-7-10(14-17)5-6-13(11)18-8-9-3-1-2-4-12(9)16/h1-7,14,17H,8H2
定義日:2016-11-21
最終更新日:2024-09-27
公開日:2017-12-06
識別子（ID）:{3-chloro-4-[(2-fluorophenyl)methoxy]phenyl}borinic acid
7N7
7N7
表記:naphthalen-2-ylboronic acid
組成式:C10 H9 B O2
SMILES:c1c2c(cc(B(O)O)c1)cccc2
InChi:InChI=1S/C10H9BO2/c12-11(13)10-6-5-8-3-1-2-4-9(8)7-10/h1-7,12-13H
定義日:2016-11-21
最終更新日:2024-09-27
公開日:2017-12-06
識別子（ID）:naphthalen-2-ylboronic acid

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