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OSS
OSS
表記:6-(HYDROXYETHYLDITHIO)-8-(AMINOMETHYLTHIO)OCTANOIC ACID
組成式:C11 H23 N O3 S3
SMILES:O=C(O)CCCCC(SSCCO)CCSCN
InChi:InChI=1S/C11H23NO3S3/c12-9-16-7-5-10(18-17-8-6-13)3-1-2-4-11(14)15/h10,13H,1-9,12H2,(H,14,15)/t10-/m0/s1
定義日:1999-07-08
最終更新日:2024-09-27
識別子（ID）:(6S)-8-[(aminomethyl)sulfanyl]-6-[(2-hydroxyethyl)disulfanyl]octanoic acid
VPV
VPV
表記:(2E,4R)-2-{[(5S)-5-amino-5-carboxypentyl]imino}-4-hydroxyheptanedioic acid
組成式:C13 H22 N2 O7
SMILES:C(=O)(O)C(N)CCCC/N=C(/C(O)=O)CC(CCC(=O)O)O
InChi:InChI=1S/C13H22N2O7/c14-9(12(19)20)3-1-2-6-15-10(13(21)22)7-8(16)4-5-11(17)18/h8-9,16H,1-7,14H2,(H,17,18)(H,19,20)(H,21,22)/b15-10+/t8-,9+/m1/s1
定義日:2020-09-02
最終更新日:2024-09-27
公開日:2021-09-22
識別子（ID）:(2E,4R)-2-{[(5S)-5-amino-5-carboxypentyl]imino}-4-hydroxyheptanedioic acid
S0Z
S0Z
表記:methyl (R)-2-(1-hydroxy-1,3-dihydrobenzo[c][1,2]oxaborole-6-carboxamido)-2-phenylacetate
組成式:C17 H16 B N O5
SMILES:COC(=O)[CH](NC(=O)c1ccc2COB(O)c2c1)c3ccccc3
InChi:InChI=1S/C17H16BNO5/c1-23-17(21)15(11-5-3-2-4-6-11)19-16(20)12-7-8-13-10-24-18(22)14(13)9-12/h2-9,15,22H,10H2,1H3,(H,19,20)/t15-/m1/s1
別名:methyl (2R)-2-[(1-oxidanyl-3H-2,1-benzoxaborol-6-yl)carbonylamino]-2-phenyl-ethanoate
定義日:2020-11-04
最終更新日:2024-09-27
公開日:2021-08-11
識別子（ID）:methyl (2~{R})-2-[(1-oxidanyl-3~{H}-2,1-benzoxaborol-6-yl)carbonylamino]-2-phenyl-ethanoate
PN8
PN8
表記:(1~{S},2~{R},3~{R},4~{S},5~{S})-4-[[($l^{5}-azanylidyne-$l^{5}-azanyl)amino]methyl]cyclohexane-1,2,3,5-tetrol
組成式:C7 H14 N3 O4
SMILES:O[CH]1C[CH](O)[CH](CN[N]#N)[CH](O)[CH]1O
InChi:InChI=1S/C7H14N3O4/c8-10-9-2-3-4(11)1-5(12)7(14)6(3)13/h3-7,9,11-14H,1-2H2/t3-,4-,5-,6+,7+/m0/s1
定義日:2020-04-26
最終更新日:2024-09-27
公開日:2021-05-12
識別子（ID）:(1~{S},2~{R},3~{R},4~{S},5~{S})-4-[[(azanylidyne-$l^{4}-azanyl)amino]methyl]cyclohexane-1,2,3,5-tetrol
NYQ
NYQ
表記:5-bromanyl-1,3-dihydroindol-2-one
組成式:C8 H6 Br N O
SMILES:Brc1ccc2NC(=O)Cc2c1
InChi:InChI=1S/C8H6BrNO/c9-6-1-2-7-5(3-6)4-8(11)10-7/h1-3H,4H2,(H,10,11)
定義日:2020-01-10
最終更新日:2024-09-27
公開日:2020-11-25
識別子（ID）:5-bromanyl-1,3-dihydroindol-2-one
T8Y
T8Y
表記:1,1'-(piperazine-1,4-diyl)di(ethan-1-one)
組成式:C8 H14 N2 O2
SMILES:N1(CCN(CC1)C(C)=O)C(=O)C
InChi:InChI=1S/C8H14N2O2/c1-7(11)9-3-5-10(6-4-9)8(2)12/h3-6H2,1-2H3
定義日:2020-03-16
最終更新日:2024-09-27
公開日:2020-03-25
識別子（ID）:1,1'-(piperazine-1,4-diyl)di(ethan-1-one)
MPL
MPL
表記:N-METHYL-PYRIDOXAL-5'-PHOSPHATE
組成式:C9 H13 N O6 P
SMILES:O=P(O)(O)OCc1c[n+](c(c(O)c1C=O)C)C
InChi:InChI=1S/C9H12NO6P/c1-6-9(12)8(4-11)7(3-10(6)2)5-16-17(13,14)15/h3-4H,5H2,1-2H3,(H2-,11,12,13,14,15)/p+1
定義日:1999-07-08
最終更新日:2024-09-27
識別子（ID）:4-formyl-3-hydroxy-1,2-dimethyl-5-[(phosphonooxy)methyl]pyridinium
ODA
ODA
表記:9-AMINO-6,10-DIOXO-OCTAHYDRO-PYRIDAZINO[1,2-A][1,2]DIAZEPINE-1-CARBOXYLIC ACID
組成式:C10 H15 N3 O4
SMILES:O=C(O)C2N1C(=O)C(N)CCC(=O)N1CCC2
InChi:InChI=1S/C10H15N3O4/c11-6-3-4-8(14)12-5-1-2-7(10(16)17)13(12)9(6)15/h6-7H,1-5,11H2,(H,16,17)/t6-,7-/m0/s1
定義日:1999-10-14
最終更新日:2024-09-27
識別子（ID）:(1S,9S)-9-amino-6,10-dioxooctahydro-6H-pyridazino[1,2-a][1,2]diazepine-1-carboxylic acid
NYS
NYS
表記:S-{5-[(1R)-2-amino-1-hydroxyethyl]-2,3-dihydroxyphenyl}-L-cysteine
組成式:C11 H16 N2 O5 S
SMILES:O=C(O)C(N)CSc1cc(cc(O)c1O)C(O)CN
InChi:InChI=1S/C11H16N2O5S/c12-3-8(15)5-1-7(14)10(16)9(2-5)19-4-6(13)11(17)18/h1-2,6,8,14-16H,3-4,12-13H2,(H,17,18)/t6-,8-/m0/s1
定義日:2007-10-08
最終更新日:2024-09-27
識別子（ID）:S-{5-[(1R)-2-amino-1-hydroxyethyl]-2,3-dihydroxyphenyl}-L-cysteine
BEZ
BEZ
表記:BENZOIC ACID
組成式:C7 H6 O2
SMILES:O=C(O)c1ccccc1
InChi:InChI=1S/C7H6O2/c8-7(9)6-4-2-1-3-5-6/h1-5H,(H,8,9)
定義日:1999-07-08
最終更新日:2024-09-27
識別子（ID）:benzoic acid
NJ3
NJ3
表記:2-chloranyl-1-[3-[(2R,6S)-4-[(4-chlorophenyl)amino]-2,6-dimethyl-oxan-4-yl]carbonyl-3,9-diazaspiro[5.5]undecan-9-yl]ethanone
組成式:C25 H35 Cl2 N3 O3
SMILES:C[CH]1CC(C[CH](C)O1)(Nc2ccc(Cl)cc2)C(=O)N3CCC4(CCN(CC4)C(=O)CCl)CC3
InChi:InChI=1S/C25H35Cl2N3O3/c1-18-15-25(16-19(2)33-18,28-21-5-3-20(27)4-6-21)23(32)30-13-9-24(10-14-30)7-11-29(12-8-24)22(31)17-26/h3-6,18-19,28H,7-17H2,1-2H3/t18-,19+,25+
定義日:2022-08-17
最終更新日:2024-09-27
公開日:2023-09-20
識別子（ID）:2-chloranyl-1-[3-[(2~{R},6~{S})-4-[(4-chlorophenyl)amino]-2,6-dimethyl-oxan-4-yl]carbonyl-3,9-diazaspiro[5.5]undecan-9-yl]ethanone
BF0
BF0
表記:methyl 4-{[(5beta,6alpha)-17-(cyclopropylmethyl)-3,14-dihydroxy-4,5-epoxymorphinan-6-yl]amino}-4-oxobutanoate
組成式:C25 H32 N2 O6
SMILES:O=C(OC)CCC(=O)NC1CCC5(O)C4N(CCC52c3c(ccc(O)c3OC12)C4)CC6CC6
InChi:InChI=1S/C25H32N2O6/c1-32-20(30)7-6-19(29)26-16-8-9-25(31)18-12-15-4-5-17(28)22-21(15)24(25,23(16)33-22)10-11-27(18)13-14-2-3-14/h4-5,14,16,18,23,28,31H,2-3,6-13H2,1H3,(H,26,29)/t16-,18-,23+,24+,25-/m1/s1
別名:beta-funaltrexamine, bound form
定義日:2012-02-07
最終更新日:2024-09-27
識別子（ID）:methyl 4-{[(5beta,6alpha)-17-(cyclopropylmethyl)-3,14-dihydroxy-4,5-epoxymorphinan-6-yl]amino}-4-oxobutanoate
AML
AML
表記:AMYLAMINE
組成式:C5 H13 N
SMILES:NCCCCC
InChi:InChI=1S/C5H13N/c1-2-3-4-5-6/h2-6H2,1H3
定義日:2001-07-05
最終更新日:2024-09-27
識別子（ID）:pentan-1-amine
ODC
ODC
表記:2-chloranyl-~{N}-[2-[1-[2-(4-chloranylphenoxy)-2-methyl-propanoyl]piperidin-4-yl]ethyl]ethanamide
組成式:C19 H26 Cl2 N2 O3
SMILES:CC(C)(Oc1ccc(Cl)cc1)C(=O)N2CCC(CCNC(=O)CCl)CC2
InChi:InChI=1S/C19H26Cl2N2O3/c1-19(2,26-16-5-3-15(21)4-6-16)18(25)23-11-8-14(9-12-23)7-10-22-17(24)13-20/h3-6,14H,7-13H2,1-2H3,(H,22,24)
定義日:2022-09-05
最終更新日:2024-09-27
公開日:2023-09-20
識別子（ID）:2-chloranyl-~{N}-[2-[1-[2-(4-chloranylphenoxy)-2-methyl-propanoyl]piperidin-4-yl]ethyl]ethanamide
T92
T92
表記:2-[(5-chloro-2-{[4-(4-methylpiperazin-1-yl)phenyl]amino}pyrimidin-4-yl)amino]phenyl prop-2-enoate
組成式:C24 H25 Cl N6 O2
SMILES:CN1CCN(CC1)c2ccc(cc2)Nc4ncc(Cl)c(Nc3ccccc3OC([C@H]=C)=O)n4
InChi:InChI=1S/C24H25ClN6O2/c1-3-22(32)33-21-7-5-4-6-20(21)28-23-19(25)16-26-24(29-23)27-17-8-10-18(11-9-17)31-14-12-30(2)13-15-31/h3-11,16H,1,12-15H2,2H3,(H2,26,27,28,29)
定義日:2016-04-21
最終更新日:2024-09-27
公開日:2017-02-15
識別子（ID）:2-[(5-chloro-2-{[4-(4-methylpiperazin-1-yl)phenyl]amino}pyrimidin-4-yl)amino]phenyl prop-2-enoate
PND
PND
表記:P-NITROPHENYLHYDRAZINE
組成式:C6 H7 N3 O2
SMILES:[O-][N+](=O)c1ccc(NN)cc1
InChi:InChI=1S/C6H7N3O2/c7-8-5-1-3-6(4-2-5)9(10)11/h1-4,8H,7H2
定義日:2001-07-27
最終更新日:2024-09-27
識別子（ID）:(4-nitrophenyl)hydrazine
UU4
UU4
表記:(2S)-2-amino-4-(L-serylamino)butanoic acid
組成式:C7 H15 N3 O4
SMILES:O=C(NCCC(C(=O)O)N)C(N)CO
InChi:InChI=1S/C7H15N3O4/c8-4(7(13)14)1-2-10-6(12)5(9)3-11/h4-5,11H,1-3,8-9H2,(H,10,12)(H,13,14)/t4-,5-/m0/s1
定義日:2012-11-14
最終更新日:2024-09-27
公開日:2013-08-21
識別子（ID）:(2S)-2-amino-4-(L-serylamino)butanoic acid
P8C
P8C
表記:[(1~{S},2~{R})-2-[4,4-bis(fluoranyl)cyclohexyl]cyclopropyl]methyl ~{N}-[(2~{S})-1-[[(1~{R},2~{S})-1-[bis(oxidanyl)-oxidanylidene-$l^{5}-sulfanyl]-1-oxidanyl-3-[(3~{S})-2-oxidanylidenepyrrolidin-3-yl]propan-2-yl]amino]-4-methyl-1-oxidanylidene-pentan-2-yl]carbamate
組成式:C24 H40 F2 N3 O8 S
SMILES:CC(C)C[CH](NC(=O)OC[CH]1C[CH]1C2CCC(F)(F)CC2)C(=O)N[CH](C[CH]3CCNC3=O)[CH](O)[S+](O)(O)=O
InChi:InChI=1S/C24H38F2N3O8S/c1-13(2)9-18(21(31)28-19(22(32)38(34,35)36)11-15-5-8-27-20(15)30)29-23(33)37-12-16-10-17(16)14-3-6-24(25,26)7-4-14/h13-19,22,32H,3-12H2,1-2H3,(H3-2,27,28,29,30,31,33,34,35,36)/q-1/p+2/t15-,16+,17+,18-,19-,22+/m0/s1
定義日:2022-05-26
最終更新日:2024-09-27
公開日:2022-06-22
識別子（ID）:[(1~{S},2~{R})-2-[4,4-bis(fluoranyl)cyclohexyl]cyclopropyl]methyl ~{N}-[(2~{S})-1-[[(1~{R},2~{S})-1-[bis(oxidanyl)-oxidanylidene-$l^{5}-sulfanyl]-1-oxidanyl-3-[(3~{S})-2-oxidanylidenepyrrolidin-3-yl]propan-2-yl]amino]-4-methyl-1-oxidanylidene-pentan-2-yl]carbamate
MPQ
MPQ
表記:N-METHYL-ALPHA-PHENYL-GLYCINE
組成式:C9 H11 N O2
SMILES:O=C(O)C(NC)c1ccccc1
InChi:InChI=1S/C9H11NO2/c1-10-8(9(11)12)7-5-3-2-4-6-7/h2-6,8,10H,1H3,(H,11,12)/t8-/m0/s1
別名:METHYLAMINO-PHENYL-ACETIC ACID
定義日:1999-10-15
最終更新日:2024-09-27
識別子（ID）:(2S)-(methylamino)(phenyl)ethanoic acid
OT0
OT0
表記:2-chloranyl-~{N}-[[1-[(2~{S},6~{R})-4-[(4-chlorophenyl)amino]-2,6-dimethyl-oxan-4-yl]carbonylpiperidin-4-yl]methyl]ethanamide
組成式:C22 H31 Cl2 N3 O3
SMILES:C[CH]1C[C](C[CH](C)O1)(Nc2ccc(Cl)cc2)C(=O)N3CC[CH](CC3)CNC(=O)CCl
InChi:InChI=1S/C22H31Cl2N3O3/c1-15-11-22(12-16(2)30-15,26-19-5-3-18(24)4-6-19)21(29)27-9-7-17(8-10-27)14-25-20(28)13-23/h3-6,15-17,26H,7-14H2,1-2H3,(H,25,28)/t15-,16+,22+
別名:RU78299
定義日:2022-09-19
最終更新日:2024-09-27
公開日:2023-09-20
識別子（ID）:2-chloranyl-~{N}-[[1-[(2~{S},6~{R})-4-[(4-chlorophenyl)amino]-2,6-dimethyl-oxan-4-yl]carbonylpiperidin-4-yl]methyl]ethanamide
UU5
UU5
表記:(2S)-2-amino-4-[(oxoacetyl)amino]butanoic acid
組成式:C6 H10 N2 O4
SMILES:O=C(O)C(N)CCNC(=O)C=O
InChi:InChI=1S/C6H10N2O4/c7-4(6(11)12)1-2-8-5(10)3-9/h3-4H,1-2,7H2,(H,8,10)(H,11,12)/t4-/m0/s1
定義日:2012-11-12
最終更新日:2024-09-27
公開日:2013-08-21
識別子（ID）:(2S)-2-amino-4-[(oxoacetyl)amino]butanoic 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
NYX
NYX
表記:2-chloranyl-~{N}-(1~{H}-indazol-5-ylmethyl)ethanamide
組成式:C10 H10 Cl N3 O
SMILES:ClCC(=O)NCc1ccc2[nH]ncc2c1
InChi:InChI=1S/C10H10ClN3O/c11-4-10(15)12-5-7-1-2-9-8(3-7)6-13-14-9/h1-3,6H,4-5H2,(H,12,15)(H,13,14)
定義日:2022-08-25
最終更新日:2024-09-27
公開日:2022-09-28
識別子（ID）:2-chloranyl-~{N}-(1~{H}-indazol-5-ylmethyl)ethanamide
AMP
AMP
表記:ADENOSINE MONOPHOSPHATE
組成式:C10 H14 N5 O7 P
SMILES:O=P(O)(O)OCC3OC(n2cnc1c(ncnc12)N)C(O)C3O
InChi:InChI=1S/C10H14N5O7P/c11-8-5-9(13-2-12-8)15(3-14-5)10-7(17)6(16)4(22-10)1-21-23(18,19)20/h2-4,6-7,10,16-17H,1H2,(H2,11,12,13)(H2,18,19,20)/t4-,6-,7-,10-/m1/s1
定義日:1999-07-08
最終更新日:2024-09-27
識別子（ID）:5'-adenylic acid
T09
T09
表記:(2S,4R)-2-amino-4-methyloctanoic acid
組成式:C9 H19 N O2
SMILES:NC(CC(C)CCCC)C(=O)O
InChi:InChI=1S/C9H19NO2/c1-3-4-5-7(2)6-8(10)9(11)12/h7-8H,3-6,10H2,1-2H3,(H,11,12)/t7-,8+/m1/s1
定義日:2022-07-13
最終更新日:2024-09-27
公開日:2023-05-24
識別子（ID）:(2S,4R)-2-amino-4-methyloctanoic acid

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