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PM5
PM5
表記:S-(2-{[N-(2-HYDROXY-4-{[HYDROXY(OXIDO)PHOSPHINO]OXY}-3,3-DIMETHYLBUTANOYL)-BETA-ALANYL]AMINO}ETHYL) HEPTANETHIOATE
組成式:C18 H35 N2 O7 P S
SMILES:O=C(SCCNC(=O)CCNC(=O)C(O)C(C)(C)COP(=O)O)CCCCCC
InChi:InChI=1S/C18H35N2O7PS/c1-4-5-6-7-8-15(22)29-12-11-19-14(21)9-10-20-17(24)16(23)18(2,3)13-27-28(25)26/h16,23,28H,4-13H2,1-3H3,(H,19,21)(H,20,24)(H,25,26)/t16-/m0/s1
定義日:2005-12-19
最終更新日:2024-09-27
識別子（ID）:S-[2-({N-[(2R)-2-hydroxy-4-{[(R)-hydroxy(oxido)phosphanyl]oxy}-3,3-dimethylbutanoyl]-beta-alanyl}amino)ethyl] heptanethioate
T13
T13
表記:2,3,4,5,6-pentafluoro-N-(3-fluoro-4-methoxyphenyl)benzenesulfonamide
組成式:C13 H7 F6 N O3 S
SMILES:Fc1cc(ccc1OC)NS(=O)(=O)c2c(F)c(F)c(F)c(F)c2F
InChi:InChI=1S/C13H7F6NO3S/c1-23-7-3-2-5(4-6(7)14)20-24(21,22)13-11(18)9(16)8(15)10(17)12(13)19/h2-4,20H,1H3
定義日:2009-05-28
最終更新日:2024-09-27
識別子（ID）:2,3,4,5,6-pentafluoro-N-(3-fluoro-4-methoxyphenyl)benzenesulfonamide
OZJ
OZJ
表記:2,4-diamino-6-(3-formylphenyl)-7H-pyrrolo[2,3-d]pyrimidine-5-carbonitrile
組成式:C14 H10 N6 O
SMILES:O=Cc3cccc(c2c(C#N)c1c(nc(nc1n2)N)N)c3
InChi:InChI=1S/C14H10N6O/c15-5-9-10-12(16)19-14(17)20-13(10)18-11(9)8-3-1-2-7(4-8)6-21/h1-4,6H,(H5,16,17,18,19,20)
定義日:2014-01-13
最終更新日:2024-09-27
公開日:2015-01-21
識別子（ID）:2,4-diamino-6-(3-formylphenyl)-7H-pyrrolo[2,3-d]pyrimidine-5-carbonitrile
V34
V34
表記:ethyl (2E,4S)-4-{[N-(4-methoxy-1H-indole-2-carbonyl)-L-leucyl]amino}-5-[(3S)-2-oxopyrrolidin-3-yl]pent-2-enoate
組成式:C27 H36 N4 O6
SMILES:CCOC(=O)[C@H]=[C@H]C(CC1CCNC1=O)NC(=O)C(CC(C)C)NC(=O)c3cc2c(OC)cccc2n3
InChi:InChI=1S/C27H36N4O6/c1-5-37-24(32)10-9-18(14-17-11-12-28-25(17)33)29-26(34)21(13-16(2)3)31-27(35)22-15-19-20(30-22)7-6-8-23(19)36-4/h6-10,15-18,21,30H,5,11-14H2,1-4H3,(H,28,33)(H,29,34)(H,31,35)/b10-9+/t17-,18+,21-/m0/s1
定義日:2020-06-19
最終更新日:2024-09-27
公開日:2020-07-08
識別子（ID）:ethyl (2E,4S)-4-{[N-(4-methoxy-1H-indole-2-carbonyl)-L-leucyl]amino}-5-[(3S)-2-oxopyrrolidin-3-yl]pent-2-enoate
SIN
SIN
表記:SUCCINIC ACID
組成式:C4 H6 O4
SMILES:O=C(O)CCC(=O)O
InChi:InChI=1S/C4H6O4/c5-3(6)1-2-4(7)8/h1-2H2,(H,5,6)(H,7,8)
定義日:1999-07-08
最終更新日:2024-09-27
識別子（ID）:butanedioic acid
PHB
PHB
表記:P-HYDROXYBENZOIC ACID
組成式:C7 H6 O3
SMILES:O=C(O)c1ccc(O)cc1
InChi:InChI=1S/C7H6O3/c8-6-3-1-5(2-4-6)7(9)10/h1-4,8H,(H,9,10)
定義日:1999-07-08
最終更新日:2024-09-27
識別子（ID）:4-hydroxybenzoic acid
MLA
MLA
表記:MALONIC ACID
組成式:C3 H4 O4
SMILES:O=C(O)CC(=O)O
InChi:InChI=1S/C3H4O4/c4-2(5)1-3(6)7/h1H2,(H,4,5)(H,6,7)
別名:DICARBOXYLIC ACID C3
定義日:2001-08-17
最終更新日:2024-09-27
識別子（ID）:propanedioic acid
CKC
CKC
表記:(3S)-3,7-diaminoheptan-2-one
組成式:C7 H16 N2 O
SMILES:O=C(C)C(N)CCCCN
InChi:InChI=1S/C7H16N2O/c1-6(10)7(9)4-2-3-5-8/h7H,2-5,8-9H2,1H3/t7-/m0/s1
定義日:2014-09-15
最終更新日:2024-09-27
公開日:2014-10-08
識別子（ID）:(3S)-3,7-diaminoheptan-2-one
BLR
BLR
表記:3-[5-[(Z)-(4-ethenyl-3-methyl-5-oxidanylidene-pyrrol-2-ylidene)methyl]-2-[[5-[(Z)-(3-ethenyl-4-methyl-5-oxidanylidene-pyrrol-2-ylidene)methyl]-3-(3-hydroxy-3-oxopropyl)-4-methyl-1H-pyrrol-2-yl]methyl]-4-methyl-1H-pyrrol-3-yl]propanoic acid
組成式:C33 H36 N4 O6
SMILES:CC1=C(C=C)C(NC1=O)=Cc2[nH]c(Cc3[nH]c(C=C4NC(=O)C(=C4C)C=C)c(C)c3CCC(O)=O)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/h7-8,13-14,34-35H,1-2,9-12,15H2,3-6H3,(H,36,43)(H,37,42)(H,38,39)(H,40,41)/b26-13-,27-14-
別名:Bilirubin IX alpha
定義日:2015-01-26
最終更新日:2024-09-27
公開日:2015-02-04
識別子（ID）:3-[5-[(Z)-(4-ethenyl-3-methyl-5-oxidanylidene-pyrrol-2-ylidene)methyl]-2-[[5-[(Z)-(3-ethenyl-4-methyl-5-oxidanylidene-pyrrol-2-ylidene)methyl]-3-(3-hydroxy-3-oxopropyl)-4-methyl-1H-pyrrol-2-yl]methyl]-4-methyl-1H-pyrrol-3-yl]propanoic acid
DFE
DFE
表記:2-(1,1-DIFLUOROETHOXY)-1,1,1-TRIFLUOROETHANE
組成式:C4 H5 F5 O
SMILES:2-(1,1-difluoroethoxy)-1,1,1-trifluoroethane
InChi:InChI=1S/C4H5F5O/c1-3(5,6)10-2-4(7,8)9/h2H2,1H3
定義日:2006-05-11
最終更新日:2024-09-27
識別子（ID）:1,1-difluoroethyl 2,2,2-trifluoroethyl ether
0L1
0L1
表記:hexanedioic acid
組成式:C6 H10 O4
SMILES:O=C(O)CCCCC(=O)O
InChi:InChI=1S/C6H10O4/c7-5(8)3-1-2-4-6(9)10/h1-4H2,(H,7,8)(H,9,10)
別名:Adipic acid
定義日:2012-02-08
最終更新日:2024-09-27
識別子（ID）:hexanedioic acid
FAD
FAD
表記:FLAVIN-ADENINE DINUCLEOTIDE
組成式:C27 H33 N9 O15 P2
SMILES:O=C2C3=Nc1cc(c(cc1N(C3=NC(=O)N2)CC(O)C(O)C(O)COP(=O)(O)OP(=O)(O)OCC6OC(n5cnc4c(ncnc45)N)C(O)C6O)C)C
InChi:InChI=1S/C27H33N9O15P2/c1-10-3-12-13(4-11(10)2)35(24-18(32-12)25(42)34-27(43)33-24)5-14(37)19(39)15(38)6-48-52(44,45)51-53(46,47)49-7-16-20(40)21(41)26(50-16)36-9-31-17-22(28)29-8-30-23(17)36/h3-4,8-9,14-16,19-21,26,37-41H,5-7H2,1-2H3,(H,44,45)(H,46,47)(H2,28,29,30)(H,34,42,43)/t14-,15+,16+,19-,20+,21+,26+/m0/s1
定義日:1999-07-08
最終更新日:2024-09-27
識別子（ID）:[(2R,3S,4R,5R)-5-(6-amino-9H-purin-9-yl)-3,4-dihydroxytetrahydrofuran-2-yl]methyl (2R,3S,4S)-5-(7,8-dimethyl-2,4-dioxo-3,4-dihydrobenzo[g]pteridin-10(2H)-yl)-2,3,4-trihydroxypentyl dihydrogen diphosphate (non-preferred name)
FMN
FMN
表記:FLAVIN MONONUCLEOTIDE
組成式:C17 H21 N4 O9 P
SMILES:N=2C(=O)NC(=O)C3=Nc1cc(C)c(C)cc1N(C=23)CC(O)C(O)C(O)COP(=O)(O)O
InChi:InChI=1S/C17H21N4O9P/c1-7-3-9-10(4-8(7)2)21(15-13(18-9)16(25)20-17(26)19-15)5-11(22)14(24)12(23)6-30-31(27,28)29/h3-4,11-12,14,22-24H,5-6H2,1-2H3,(H,20,25,26)(H2,27,28,29)/t11-,12+,14-/m0/s1
別名:RIBOFLAVIN MONOPHOSPHATE
定義日:1999-07-08
最終更新日:2024-09-27
識別子（ID）:1-deoxy-1-(7,8-dimethyl-2,4-dioxo-3,4-dihydrobenzo[g]pteridin-10(2H)-yl)-5-O-phosphono-D-ribitol
FP8
FP8
表記:(1R,2S)-1-hydroxy-2-[(N-{[(2-methyl-2-azaspiro[3.3]heptan-6-yl)oxy]carbonyl}-L-leucyl)amino]-3-[(3S)-2-oxopyrrolidin-3-yl]propane-1-sulfonic acid
組成式:C28 H40 N4 O9 S
SMILES:O=C(Cc1ccccc1)N1CC2(CC(C2)OC(=O)NC(CC(C)C)C(=O)NC(CC2CCNC2=O)C(O)S(=O)(=O)O)C1
InChi:InChI=1S/C28H40N4O9S/c1-17(2)10-21(25(35)30-22(26(36)42(38,39)40)12-19-8-9-29-24(19)34)31-27(37)41-20-13-28(14-20)15-32(16-28)23(33)11-18-6-4-3-5-7-18/h3-7,17,19-22,26,36H,8-16H2,1-2H3,(H,29,34)(H,30,35)(H,31,37)(H,38,39,40)/t19-,21-,22-,26+/m0/s1
定義日:2021-12-15
最終更新日:2024-09-27
公開日:2021-12-22
識別子（ID）:(1R,2S)-1-hydroxy-3-[(3S)-2-oxopyrrolidin-3-yl]-2-{[N-({[2-(phenylacetyl)-2-azaspiro[3.3]heptan-6-yl]oxy}carbonyl)-L-leucyl]amino}propane-1-sulfonic acid
G4K
G4K
表記:Borussertib
組成式:C36 H34 N6 O3
SMILES:CCC(=O)Nc1ccc2NC(=O)N(C3CCN(CC3)Cc4ccc(cc4)c5nc6C=CNC(=O)c6cc5c7ccccc7)c2c1
InChi:InChI=1S/C36H34N6O3/c1-2-33(43)38-26-12-13-31-32(20-26)42(36(45)40-31)27-15-18-41(19-16-27)22-23-8-10-25(11-9-23)34-28(24-6-4-3-5-7-24)21-29-30(39-34)14-17-37-35(29)44/h3-14,17,20-21,27H,2,15-16,18-19,22H2,1H3,(H,37,44)(H,38,43)(H,40,45)
定義日:2018-08-28
最終更新日:2024-09-27
公開日:2019-03-20
識別子（ID）:~{N}-[2-oxidanylidene-3-[1-[[4-(5-oxidanylidene-3-phenyl-6~{H}-1,6-naphthyridin-2-yl)phenyl]methyl]piperidin-4-yl]-1~{H}-benzimidazol-5-yl]propanamide
GQU
GQU
表記:(3~{S},3~{a}~{S},6~{a}~{R})-2-[3-[3,5-bis(fluoranyl)phenyl]propanoyl]-~{N}-[(2~{S})-1-oxidanylidene-3-[(3~{S})-2-oxidanylidenepyrrolidin-3-yl]propan-2-yl]-3,3~{a},4,5,6,6~{a}-hexahydro-1~{H}-cyclopenta[c]pyrrole-3-carboxamide
組成式:C24 H29 F2 N3 O4
SMILES:Fc1cc(F)cc(CCC(=O)N2C[CH]3CCC[CH]3[CH]2C(=O)N[CH](C[CH]4CCNC4=O)C=O)c1
InChi:InChI=1S/C24H29F2N3O4/c25-17-8-14(9-18(26)11-17)4-5-21(31)29-12-16-2-1-3-20(16)22(29)24(33)28-19(13-30)10-15-6-7-27-23(15)32/h8-9,11,13,15-16,19-20,22H,1-7,10,12H2,(H,27,32)(H,28,33)/t15-,16-,19-,20-,22-/m0/s1
定義日:2020-09-23
最終更新日:2024-09-27
公開日:2020-10-07
識別子（ID）:(3~{S},3~{a}~{S},6~{a}~{R})-2-[3-[3,5-bis(fluoranyl)phenyl]propanoyl]-~{N}-[(2~{S})-1-oxidanylidene-3-[(3~{S})-2-oxidanylidenepyrrolidin-3-yl]propan-2-yl]-3,3~{a},4,5,6,6~{a}-hexahydro-1~{H}-cyclopenta[c]pyrrole-3-carboxamide
GUA
GUA
表記:GLUTARIC ACID
組成式:C5 H8 O4
SMILES:O=C(O)CCCC(=O)O
InChi:InChI=1S/C5H8O4/c6-4(7)2-1-3-5(8)9/h1-3H2,(H,6,7)(H,8,9)
定義日:1999-07-08
最終更新日:2024-09-27
識別子（ID）:pentanedioic acid
3EG
3EG
表記:(2S)-2-amino-4,4,4-trifluorobutanoic acid
組成式:C4 H6 F3 N O2
SMILES:FC(F)(F)CC(N)C(=O)O
InChi:InChI=1S/C4H6F3NO2/c5-4(6,7)1-2(8)3(9)10/h2H,1,8H2,(H,9,10)/t2-/m0/s1
定義日:2011-10-13
最終更新日:2024-09-27
識別子（ID）:(2S)-2-amino-4,4,4-trifluorobutanoic acid
6FL
6FL
表記:5,5,5,5',5',5'-hexafluoro-L-leucine
組成式:C6 H7 F6 N O2
SMILES:FC(F)(F)C(CC(N)C(=O)O)C(F)(F)F
InChi:InChI=1S/C6H7F6NO2/c7-5(8,9)3(6(10,11)12)1-2(13)4(14)15/h2-3H,1,13H2,(H,14,15)/t2-/m0/s1
定義日:2011-10-13
最終更新日:2024-09-27
識別子（ID）:5,5,5,5',5',5'-hexafluoro-L-leucine
A1IG2
A1IG2
表記:Bomedemstat FAD adduct
組成式:C36 H42 F N9 O16 P2
SMILES:Cc1cc2N(C[CH](O)[CH](O)[CH](O)CO[P](O)(=O)O[P](O)(=O)OC[CH]3O[CH]([CH](O)[CH]3O)n4cnc5c(N)ncnc45)C6=NC(=O)NC(=O)[C]67[CH](C[CH](O)N7c2cc1C)c8ccc(F)cc8
InChi:InChI=1S/C36H42FN9O16P2/c1-15-7-20-21(8-16(15)2)46-25(49)9-19(17-3-5-18(37)6-4-17)36(46)33(42-35(54)43-34(36)53)44(20)10-22(47)27(50)23(48)11-59-63(55,56)62-64(57,58)60-12-24-28(51)29(52)32(61-24)45-14-41-26-30(38)39-13-40-31(26)45/h3-8,13-14,19,22-25,27-29,32,47-52H,9-12H2,1-2H3,(H,55,56)(H,57,58)(H2,38,39,40)(H,43,53,54)/t19-,22+,23-,24-,25-,27+,28-,29-,32-,36+/m1/s1
定義日:2024-07-02
最終更新日:2024-07-05
公開日:2024-07-10
A1IBD
A1IBD
表記:~{N}-[(2~{S})-2-azanylpropyl]-4-methyl-benzenesulfonamide
組成式:C10 H16 N2 O2 S
SMILES:C[CH](N)CN[S](=O)(=O)c1ccc(C)cc1
InChi:InChI=1S/C10H16N2O2S/c1-8-3-5-10(6-4-8)15(13,14)12-7-9(2)11/h3-6,9,12H,7,11H2,1-2H3/t9-/m0/s1
定義日:2024-05-10
最終更新日:2024-06-28
公開日:2024-07-03
識別子（ID）:~{N}-[(2~{S})-2-azanylpropyl]-4-methyl-benzenesulfonamide
A1AKV
A1AKV
表記:3-cyclopropyl-N-(7H-pyrrolo[2,3-d]pyrimidin-4-yl)-L-alanine
組成式:C12 H14 N4 O2
SMILES:O=C(O)C(CC1CC1)Nc1ncnc2[NH]ccc21
InChi:InChI=1S/C12H14N4O2/c17-12(18)9(5-7-1-2-7)16-11-8-3-4-13-10(8)14-6-15-11/h3-4,6-7,9H,1-2,5H2,(H,17,18)(H2,13,14,15,16)
定義日:2024-04-04
最終更新日:2024-05-10
公開日:2024-05-15
識別子（ID）:3-cyclopropyl-N-(7H-pyrrolo[2,3-d]pyrimidin-4-yl)-L-alanine
ZG5
ZG5
表記:11-(4-beta-D-glucopyranuronosylpiperazin-1-yl)dibenzo[b,f][1,4]thiazepine
組成式:C23 H25 N3 O6 S
SMILES:O=C(O)C1OC(C(O)C(O)C1O)N1CCN(CC1)C1=Nc2ccccc2Sc2ccccc21
InChi:InChI=1S/C23H25N3O6S/c27-17-18(28)20(23(30)31)32-22(19(17)29)26-11-9-25(10-12-26)21-13-5-1-3-7-15(13)33-16-8-4-2-6-14(16)24-21/h1-8,17-20,22,27-29H,9-12H2,(H,30,31)/t17-,18-,19+,20-,22+/m0/s1
定義日:2023-03-09
最終更新日:2024-03-15
公開日:2024-03-20
識別子（ID）:11-(4-beta-D-glucopyranuronosylpiperazin-1-yl)dibenzo[b,f][1,4]thiazepine
YJ5
YJ5
表記:4-[(N-butylpentanamido)methyl]-N-hydroxybenzamide
組成式:C17 H26 N2 O3
SMILES:CCCCC(=O)N(CCCC)Cc1ccc(cc1)C(=O)NO
InChi:InChI=1S/C17H26N2O3/c1-3-5-7-16(20)19(12-6-4-2)13-14-8-10-15(11-9-14)17(21)18-22/h8-11,22H,3-7,12-13H2,1-2H3,(H,18,21)
定義日:2023-02-06
最終更新日:2023-12-08
公開日:2023-12-13
識別子（ID）:4-[(N-butylpentanamido)methyl]-N-hydroxybenzamide
QOX
QOX
表記:1-oxo-1lambda~5~-quinoline
組成式:C9 H7 N O
SMILES:[O-][n+]1cccc2ccccc21
InChi:InChI=1S/C9H7NO/c11-10-7-3-5-8-4-1-2-6-9(8)10/h1-7H
定義日:2022-09-14
最終更新日:2023-09-29
公開日:2023-10-04
識別子（ID）:1-oxo-1lambda~5~-quinoline

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