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UDX
UDX
表記:URIDINE-5'-DIPHOSPHATE-XYLOPYRANOSE
組成式:C14 H22 N2 O16 P2
SMILES:O=P(OC1OCC(O)C(O)C1O)(O)OP(=O)(O)OCC3OC(N2C=CC(=O)NC2=O)C(O)C3O
InChi:InChI=1S/C14H22N2O16P2/c17-5-3-28-13(11(22)8(5)19)31-34(26,27)32-33(24,25)29-4-6-9(20)10(21)12(30-6)16-2-1-7(18)15-14(16)23/h1-2,5-6,8-13,17,19-22H,3-4H2,(H,24,25)(H,26,27)(H,15,18,23)/t5-,6-,8+,9-,10-,11-,12-,13-/m1/s1
別名:UDP-ALPHA-D-XYLOPYRANOSE
定義日:1999-12-13
最終更新日:2021-03-01
識別子（ID）:[(2R,3S,4R,5R)-5-(2,4-dioxo-3,4-dihydropyrimidin-1(2H)-yl)-3,4-dihydroxytetrahydrofuran-2-yl]methyl (2R,3R,4S,5R)-3,4,5-trihydroxytetrahydro-2H-pyran-2-yl dihydrogen diphosphate (non-preferred name)
N5I
N5I
表記:1-(2-DEOXY-5-O-PHOSPHONO-BETA-D-ERYTHRO-PENTOFURANOSYL)-5-NITRO-1H-INDOLE
組成式:C13 H15 N2 O8 P
SMILES:[O-][N+](=O)c2cc1ccn(c1cc2)C3OC(C(O)C3)COP(=O)(O)O
InChi:InChI=1S/C13H15N2O8P/c16-11-6-13(23-12(11)7-22-24(19,20)21)14-4-3-8-5-9(15(17)18)1-2-10(8)14/h1-5,11-13,16H,6-7H2,(H2,19,20,21)/t11-,12+,13+/m0/s1
別名:5-NITRO-1-INDOLYL-2'-DEOXYRIBOSIDE-5'-MONOPHOSPHATE
定義日:2007-03-21
最終更新日:2021-03-01
識別子（ID）:1-(2-deoxy-5-O-phosphono-beta-D-erythro-pentofuranosyl)-5-nitro-1H-indole
9PC
9PC
表記:3-[(6-chloro[1,3]thiazolo[5,4-b]pyridin-2-yl)methoxy]-2,6-difluorobenzamide
組成式:C14 H8 Cl F2 N3 O2 S
SMILES:Fc3ccc(OCc1nc2cc(Cl)cnc2s1)c(F)c3C(=O)N
InChi:InChI=1S/C14H8ClF2N3O2S/c15-6-3-8-14(19-4-6)23-10(20-8)5-22-9-2-1-7(16)11(12(9)17)13(18)21/h1-4H,5H2,(H2,18,21)
別名:PC190723
定義日:2012-01-27
最終更新日:2021-03-01
識別子（ID）:3-[(6-chloro[1,3]thiazolo[5,4-b]pyridin-2-yl)methoxy]-2,6-difluorobenzamide
9PD
9PD
表記:Dodecyldimethylphosphine oxide
組成式:C14 H31 O P
SMILES:CCCCCCCCCCCCP(=O)(C)C
InChi:InChI=1S/C14H31OP/c1-4-5-6-7-8-9-10-11-12-13-14-16(2,3)15/h4-14H2,1-3H3
別名:APO-12
定義日:2020-04-16
最終更新日:2021-03-01
公開日:2020-10-28
識別子（ID）:dodecyl(dimethyl)oxo-lambda~5~-phosphane
9PE
9PE
表記:(1R)-2-{[(S)-(2-aminoethoxy)(hydroxy)phosphoryl]oxy}-1-[(heptanoyloxy)methyl]ethyl octadecanoate
組成式:C30 H60 N O8 P
SMILES:O=C(OCC(OC(=O)CCCCCCCCCCCCCCCCC)COP(=O)(OCCN)O)CCCCCC
InChi:InChI=1S/C30H60NO8P/c1-3-5-7-9-10-11-12-13-14-15-16-17-18-19-21-23-30(33)39-28(27-38-40(34,35)37-25-24-31)26-36-29(32)22-20-8-6-4-2/h28H,3-27,31H2,1-2H3,(H,34,35)/t28-/m1/s1
別名:3-SN-PHOSPHATIDYLETHANOLAMINE
定義日:2008-04-28
最終更新日:2021-03-01
識別子（ID）:(1R)-2-{[(S)-(2-aminoethoxy)(hydroxy)phosphoryl]oxy}-1-[(heptanoyloxy)methyl]ethyl octadecanoate
9PL
9PL
表記:(3S,4R)-3-ethyl-4-[(1-methyl-1H-imidazol-5-yl)methyl]dihydrofuran-2(3H)-one
組成式:C11 H16 N2 O2
SMILES:O=C2OCC(Cc1n(cnc1)C)C2CC
InChi:InChI=1S/C11H16N2O2/c1-3-10-8(6-15-11(10)14)4-9-5-12-7-13(9)2/h5,7-8,10H,3-4,6H2,1-2H3/t8-,10-/m0/s1
別名:PILOCARPINE
定義日:2011-07-26
最終更新日:2021-03-01
識別子（ID）:(3S,4R)-3-ethyl-4-[(1-methyl-1H-imidazol-5-yl)methyl]dihydrofuran-2(3H)-one
N6M
N6M
表記:N-METHYL-9H-PURIN-6-AMINE
組成式:C6 H7 N5
SMILES:n2c1c(ncn1)c(nc2)NC
InChi:InChI=1S/C6H7N5/c1-7-5-4-6(10-2-8-4)11-3-9-5/h2-3H,1H3,(H2,7,8,9,10,11)
別名:N6-METHYL ADENINE
定義日:2010-08-09
最終更新日:2021-03-01
識別子（ID）:N-methyl-9H-purin-6-amine
9QY
9QY
表記:methyl 2-[2-(1-benzyl-1H-imidazol-2-yl)ethyl]-3-chloro-4,6-dihydroxybenzoate
組成式:C20 H19 Cl N2 O4
SMILES:COC(=O)c3c(cc(c(c3CCc2nccn2Cc1ccccc1)Cl)O)O
InChi:InChI=1S/C20H19ClN2O4/c1-27-20(26)18-14(19(21)16(25)11-15(18)24)7-8-17-22-9-10-23(17)12-13-5-3-2-4-6-13/h2-6,9-11,24-25H,7-8,12H2,1H3
別名:resorcinylic inhibitor BnIm
定義日:2017-06-01
最終更新日:2021-03-01
公開日:2018-04-18
識別子（ID）:methyl 2-[2-(1-benzyl-1H-imidazol-2-yl)ethyl]-3-chloro-4,6-dihydroxybenzoate
N7I
N7I
表記:4-[(1E)-3-hydroxyprop-1-en-1-yl]-2-methoxyphenol
組成式:C10 H12 O3
SMILES:Oc1ccc(cc1OC)/C=C/CO
InChi:InChI=1S/C10H12O3/c1-13-10-7-8(3-2-6-11)4-5-9(10)12/h2-5,7,11-12H,6H2,1H3/b3-2+
別名:Coniferyl alcohol
定義日:2010-06-02
最終更新日:2021-03-01
公開日:2012-08-24
識別子（ID）:4-[(1E)-3-hydroxyprop-1-en-1-yl]-2-methoxyphenol
9SC
9SC
表記:7-[4-[4-[2,3-bis(chloranyl)phenyl]piperazin-1-yl]butoxy]-3,4-dihydro-1H-quinolin-2-one
組成式:C23 H27 Cl2 N3 O2
SMILES:Clc1cccc(N2CCN(CCCCOc3ccc4CCC(=O)Nc4c3)CC2)c1Cl
InChi:InChI=1S/C23H27Cl2N3O2/c24-19-4-3-5-21(23(19)25)28-13-11-27(12-14-28)10-1-2-15-30-18-8-6-17-7-9-22(29)26-20(17)16-18/h3-6,8,16H,1-2,7,9-15H2,(H,26,29)
別名:Aripiprazole
定義日:2018-07-11
最終更新日:2021-03-01
公開日:2018-10-24
識別子（ID）:7-[4-[4-[2,3-bis(chloranyl)phenyl]piperazin-1-yl]butoxy]-3,4-dihydro-1~{H}-quinolin-2-one
9SR
9SR
表記:(1R,5R,6R,7R,9S,11S,12S,13S,14S)-3-amino-14-(hydroxymethyl)-8,10-dioxa-2,4-diazatetracyclo[7.3.1.1~7,11~.0~1,6~]tetradec-3-ene-5,9,12,13,14-pentol (non-preferred name)
組成式:C11 H17 N3 O8
SMILES:N1C32C(C(N=C1N)O)C4C(CO)(C(C2O)OC(C3O)(O4)O)O
InChi:InChI=1S/C11H17N3O8/c12-8-13-6(17)2-4-9(19,1-15)5-3(16)10(2,14-8)7(18)11(20,21-4)22-5/h2-7,15-20H,1H2,(H3,12,13,14)/t2-,3-,4-,5+,6-,7+,9+,10-,11+/m1/s1
別名:Tetrodotoxin
定義日:2018-07-18
最終更新日:2021-03-01
公開日:2018-08-08
識別子（ID）:(1R,5R,6R,7R,9S,11S,12S,13S,14S)-3-amino-14-(hydroxymethyl)-8,10-dioxa-2,4-diazatetracyclo[7.3.1.1~7,11~.0~1,6~]tetradec-3-ene-5,9,12,13,14-pentol (non-preferred name)
9TB
9TB
表記:(2~{S})-2-[[(2~{S})-6-[(4-fluorophenyl)methylamino]-1-oxidanyl-1,6-bis(oxidanylidene)hexan-2-yl]carbamoylamino]pentanedioic acid
組成式:C19 H24 F N3 O8
SMILES:OC(=O)CC[CH](NC(=O)N[CH](CCCC(=O)NCc1ccc(F)cc1)C(O)=O)C(O)=O
InChi:InChI=1S/C19H24FN3O8/c20-12-6-4-11(5-7-12)10-21-15(24)3-1-2-13(17(27)28)22-19(31)23-14(18(29)30)8-9-16(25)26/h4-7,13-14H,1-3,8-10H2,(H,21,24)(H,25,26)(H,27,28)(H,29,30)(H2,22,23,31)/t13-,14-/m0/s1
別名:CFBzOG
定義日:2017-07-10
最終更新日:2021-03-01
公開日:2018-08-01
識別子（ID）:(2~{S})-2-[[(2~{S})-6-[(4-fluorophenyl)methylamino]-1-oxidanyl-1,6-bis(oxidanylidene)hexan-2-yl]carbamoylamino]pentanedioic acid
NC3
NC3
表記:N-[(CYCLOHEXYLAMINO)CARBONYL]GLYCINE
組成式:C9 H16 N2 O3
SMILES:O=C(NC1CCCCC1)NCC(=O)O
InChi:InChI=1S/C9H16N2O3/c12-8(13)6-10-9(14)11-7-4-2-1-3-5-7/h7H,1-6H2,(H,12,13)(H2,10,11,14)
別名:4-(3-CYCLOHEXYLURIEDO)-ETHANOIC ACID
定義日:2005-04-21
最終更新日:2021-03-01
識別子（ID）:N-(cyclohexylcarbamoyl)glycine
NC4
NC4
表記:4-{[(CYCLOHEXYLAMINO)CARBONYL]AMINO}BUTANOIC ACID
組成式:C11 H20 N2 O3
SMILES:O=C(NC1CCCCC1)NCCCC(=O)O
InChi:InChI=1S/C11H20N2O3/c14-10(15)7-4-8-12-11(16)13-9-5-2-1-3-6-9/h9H,1-8H2,(H,14,15)(H2,12,13,16)
別名:4-(3-CYCLOHEXYLURIEDO)-BUTYRIC ACID
定義日:2005-04-21
最終更新日:2021-03-01
識別子（ID）:4-[(cyclohexylcarbamoyl)amino]butanoic acid
NC6
NC6
表記:6-{[(CYCLOHEXYLAMINO)CARBONYL]AMINO}HEXANOIC ACID
組成式:C13 H24 N2 O3
SMILES:O=C(NC1CCCCC1)NCCCCCC(=O)O
InChi:InChI=1S/C13H24N2O3/c16-12(17)9-5-2-6-10-14-13(18)15-11-7-3-1-4-8-11/h11H,1-10H2,(H,16,17)(H2,14,15,18)
別名:4-(3-CYCLOHEXYLURIEDO)-HEXANOIC ACID
定義日:2005-04-21
最終更新日:2021-03-01
識別子（ID）:6-[(cyclohexylcarbamoyl)amino]hexanoic acid
NDE
NDE
表記:ADENOSINE 5'-(TRIHYDROGEN DIPHOSPHATE) P'-5'-ESTER WITH 3-(AMINOCARBONYL)-4-(1-HYDROXYL-2-OXO-3-PHOSPHONOOXY-PROPYL)-1-BETA-D-RIBOFURANOSYLPYRIDINIUM INNER SALT
組成式:C24 H32 N7 O20 P3
SMILES:NC(=O)c1c[n+](ccc1[CH](O)C(=O)CO[P](O)(O)=O)[CH]2O[CH](CO[P]([O-])(=O)O[P](O)(=O)OC[CH]3O[CH]([CH](O)[CH]3O)n4cnc5c(N)ncnc45)[CH](O)[CH]2O
InChi:InChI=1S/C24H32N7O20P3/c25-20-14-22(28-7-27-20)31(8-29-14)24-19(37)17(35)13(50-24)6-48-54(44,45)51-53(42,43)47-5-12-16(34)18(36)23(49-12)30-2-1-9(10(3-30)21(26)38)15(33)11(32)4-46-52(39,40)41/h1-3,7-8,12-13,15-19,23-24,33-37H,4-6H2,(H7-,25,26,27,28,38,39,40,41,42,43,44,45)/t12-,13-,15?,16-,17-,18-,19-,23-,24-/m1/s1
別名:NAD WITH (1-HYDROXYL-2-OXO-3-PHOSPHONOOXY-PROPANE)
定義日:2002-11-11
最終更新日:2021-03-01
識別子（ID）:[(2R,3S,4R,5R)-5-[3-aminocarbonyl-4-[(1R)-1-hydroxy-2-oxo-3-phosphonooxy-propyl]pyridin-1-ium-1-yl]-3,4-dihydroxy-oxolan-2-yl]methyl [[(2R,3S,4R,5R)-5-(6-aminopurin-9-yl)-3,4-dihydroxy-oxolan-2-yl]methoxy-hydroxy-phosphoryl] phosphate
NER
NER
表記:(15E)-TETRACOS-15-ENOIC ACID
組成式:C24 H46 O2
SMILES:O=C(O)CCCCCCCCCCCCCC=C/CCCCCCCC
InChi:InChI=1S/C24H46O2/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-20-21-22-23-24(25)26/h9-10H,2-8,11-23H2,1H3,(H,25,26)/b10-9-
別名:CIS-15-TETRACOSENOIC ACID
定義日:2005-11-16
最終更新日:2021-03-01
識別子（ID）:(15Z)-tetracos-15-enoic acid
NFL
NFL
表記:2-{[3-(TRIFLUOROMETHYL)PHENYL]AMINO}NICOTINIC ACID
組成式:C13 H9 F3 N2 O2
SMILES:FC(F)(F)c1cc(ccc1)Nc2ncccc2C(=O)O
InChi:InChI=1S/C13H9F3N2O2/c14-13(15,16)8-3-1-4-9(7-8)18-11-10(12(19)20)5-2-6-17-11/h1-7H,(H,17,18)(H,19,20)
別名:2-[(3-TRIFLUOROMETHYL)PHENYL]AMINO-3-PYRIDINE-CARBOXYLIC ACID
定義日:2004-05-26
最終更新日:2021-03-01
識別子（ID）:2-{[3-(trifluoromethyl)phenyl]amino}pyridine-3-carboxylic acid
NFU
NFU
表記:formyl[bis(hydrocyanato-1kappaC)]ironnickel(Fe-Ni)
組成式:C3 H Fe N2 Ni O
SMILES:N#C[Fe]([Ni])(C#N)C=O
InChi:InChI=1S/2CN.CHO.Fe.Ni/c3*1-2
別名:NI-FE REDUCED ACTIVE CENTER
定義日:2011-04-13
最終更新日:2021-03-01
識別子（ID）:formyl[bis(hydrocyanato-1kappaC)]ironnickel(Fe-Ni)
NG3
NG3
表記:3'-amino-2',3'-dideoxyguanosine 5'-(tetrahydrogen triphosphate)
組成式:C10 H17 N6 O12 P3
SMILES:C=2(N)Nc1n(cnc1C(N=2)=O)C3CC(N)C(COP(O)(=O)OP(O)(=O)OP(O)(O)=O)O3
InChi:InChI=1S/C10H17N6O12P3/c11-4-1-6(16-3-13-7-8(16)14-10(12)15-9(7)17)26-5(4)2-25-30(21,22)28-31(23,24)27-29(18,19)20/h3-6H,1-2,11H2,(H,21,22)(H,23,24)(H2,18,19,20)(H3,12,14,15,17)/t4-,5+,6+/m0/s1
別名:3'-amino-dGTP
定義日:2019-10-25
最終更新日:2021-03-01
公開日:2020-03-18
識別子（ID）:3'-amino-2',3'-dideoxyguanosine 5'-(tetrahydrogen triphosphate)
NGO
NGO
表記:2-METHYL-4,5-DIHYDRO-(1,2-DIDEOXY-ALPHA-D-GLUCOPYRANOSO)[2,1-D]-1,3-OXAZOLE
組成式:C8 H14 N O5
SMILES:O1C(=[NH+]C2C(O)C(O)C(OC12)CO)C
InChi:InChI=1S/C8H13NO5/c1-3-9-5-7(12)6(11)4(2-10)14-8(5)13-3/h4-8,10-12H,2H2,1H3/p+1/t4-,5-,6-,7-,8+/m1/s1
別名:N-ACETYLGLUCOSAMINE-OXAZOLINIUM ION INTERMEDIATE
定義日:2000-08-25
最終更新日:2021-03-01
識別子（ID）:(3aR,5R,6S,7R,7aR)-6,7-dihydroxy-5-(hydroxymethyl)-2-methyl-5,6,7,7a-tetrahydro-3aH-pyrano[3,2-d][1,3]oxazol-1-ium
NGQ
NGQ
表記:N-carbamimidoyl-L-glutamic acid
組成式:C6 H11 N3 O4
SMILES:O=C(O)C(NC(=[N@H])N)CCC(=O)O
InChi:InChI=1S/C6H11N3O4/c7-6(8)9-3(5(12)13)1-2-4(10)11/h3H,1-2H2,(H,10,11)(H,12,13)(H4,7,8,9)/t3-/m0/s1
別名:N-Guanidino-L-Glutamate
定義日:2010-04-12
最終更新日:2021-03-01
識別子（ID）:N-carbamimidoyl-L-glutamic acid
NGV
NGV
表記:METHYL 5,7-DIHYDROXY-2-METHYL-4,6,11-TRIOXO-3,4,6,11-TETRAHYDROTETRACENE-1-CARBOXYLATE
組成式:C21 H14 O7
SMILES:O=C1c4c(C(=O)c2c1cccc2O)c(O)c3c(C(=C(C)CC3=O)C(=O)OC)c4
InChi:InChI=1S/C21H14O7/c1-8-6-13(23)16-10(14(8)21(27)28-2)7-11-17(20(16)26)19(25)15-9(18(11)24)4-3-5-12(15)22/h3-5,7,22,26H,6H2,1-2H3
別名:NOGALAVIKETONE
定義日:2004-03-09
最終更新日:2021-03-01
識別子（ID）:methyl 5,7-dihydroxy-2-methyl-4,6,11-trioxo-3,4,6,11-tetrahydrotetracene-1-carboxylate
NHC
NHC
表記:(1R,2S,3R,4S)-2,3-dimethyl-7-oxabicyclo[2.2.1]heptane-2,3-dicarboxylic acid
組成式:C10 H14 O5
SMILES:O=C(O)C1(C(C(=O)O)(C)C2OC1CC2)C
InChi:InChI=1S/C10H14O5/c1-9(7(11)12)5-3-4-6(15-5)10(9,2)8(13)14/h5-6H,3-4H2,1-2H3,(H,11,12)(H,13,14)/t5-,6+,9+,10-
別名:Cantharidic acid
定義日:2009-05-07
最終更新日:2021-03-01
識別子（ID）:(1R,2S,3R,4S)-2,3-dimethyl-7-oxabicyclo[2.2.1]heptane-2,3-dicarboxylic acid
NHL
NHL
表記:(4S)-4-(2-NAPHTHYLMETHYL)-D-GLUTAMIC ACID
組成式:C16 H17 N O4
SMILES:O=C(O)C(N)CC(C(=O)O)Cc2ccc1c(cccc1)c2
InChi:InChI=1S/C16H17NO4/c17-14(16(20)21)9-13(15(18)19)8-10-5-6-11-3-1-2-4-12(11)7-10/h1-7,13-14H,8-9,17H2,(H,18,19)(H,20,21)/t13-,14+/m0/s1
別名:GAMMA-2-NAPHTHYLMETHYL-D-GLUTAMIC ACID
定義日:2007-01-18
最終更新日:2021-03-01
識別子（ID）:(4S)-4-(naphthalen-2-ylmethyl)-D-glutamic acid

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