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KWW
KWW
表記:1-(2-azanylethyl)-3-(3,4-dichlorophenyl)-~{N}-(phenylmethyl)pyrazole-4-carboxamide
組成式:C19 H18 Cl2 N4 O
SMILES:NCCn1cc(C(=O)NCc2ccccc2)c(n1)c3ccc(Cl)c(Cl)c3
InChi:InChI=1S/C19H18Cl2N4O/c20-16-7-6-14(10-17(16)21)18-15(12-25(24-18)9-8-22)19(26)23-11-13-4-2-1-3-5-13/h1-7,10,12H,8-9,11,22H2,(H,23,26)
定義日:2019-07-02
最終更新日:2020-07-17
公開日:2020-07-22
識別子（ID）:1-(2-azanylethyl)-3-(3,4-dichlorophenyl)-~{N}-(phenylmethyl)pyrazole-4-carboxamide
KX5
KX5
表記:3-[3-(3,4-dichlorophenyl)-4-(2-phenylethylcarbamoyl)pyrazol-1-yl]propanoic acid
組成式:C21 H19 Cl2 N3 O3
SMILES:OC(=O)CCn1cc(C(=O)NCCc2ccccc2)c(n1)c3ccc(Cl)c(Cl)c3
InChi:InChI=1S/C21H19Cl2N3O3/c22-17-7-6-15(12-18(17)23)20-16(13-26(25-20)11-9-19(27)28)21(29)24-10-8-14-4-2-1-3-5-14/h1-7,12-13H,8-11H2,(H,24,29)(H,27,28)
定義日:2019-07-02
最終更新日:2020-07-17
公開日:2020-07-22
識別子（ID）:3-[3-(3,4-dichlorophenyl)-4-(2-phenylethylcarbamoyl)pyrazol-1-yl]propanoic acid
KX8
KX8
表記:4-[3-(3,4-dichlorophenyl)-4-[(phenylmethyl)carbamoyl]pyrazol-1-yl]butanoic acid
組成式:C21 H19 Cl2 N3 O3
SMILES:OC(=O)CCCn1cc(C(=O)NCc2ccccc2)c(n1)c3ccc(Cl)c(Cl)c3
InChi:InChI=1S/C21H19Cl2N3O3/c22-17-9-8-15(11-18(17)23)20-16(13-26(25-20)10-4-7-19(27)28)21(29)24-12-14-5-2-1-3-6-14/h1-3,5-6,8-9,11,13H,4,7,10,12H2,(H,24,29)(H,27,28)
定義日:2019-07-02
最終更新日:2020-07-17
公開日:2020-07-22
識別子（ID）:4-[3-(3,4-dichlorophenyl)-4-[(phenylmethyl)carbamoyl]pyrazol-1-yl]butanoic acid
KXE
KXE
表記:3-[3-(3,4-dichlorophenyl)-4-[(phenylmethyl)carbamoyl]pyrazol-1-yl]propanoic acid
組成式:C20 H17 Cl2 N3 O3
SMILES:OC(=O)CCn1cc(C(=O)NCc2ccccc2)c(n1)c3ccc(Cl)c(Cl)c3
InChi:InChI=1S/C20H17Cl2N3O3/c21-16-7-6-14(10-17(16)22)19-15(12-25(24-19)9-8-18(26)27)20(28)23-11-13-4-2-1-3-5-13/h1-7,10,12H,8-9,11H2,(H,23,28)(H,26,27)
定義日:2019-07-03
最終更新日:2020-07-17
公開日:2020-07-22
識別子（ID）:3-[3-(3,4-dichlorophenyl)-4-[(phenylmethyl)carbamoyl]pyrazol-1-yl]propanoic acid
KXH
KXH
表記:ethyl 1-(4-azanylbutyl)-3-(3,4-dichlorophenyl)pyrazole-4-carboxylate
組成式:C16 H19 Cl2 N3 O2
SMILES:CCOC(=O)c1cn(CCCCN)nc1c2ccc(Cl)c(Cl)c2
InChi:InChI=1S/C16H19Cl2N3O2/c1-2-23-16(22)12-10-21(8-4-3-7-19)20-15(12)11-5-6-13(17)14(18)9-11/h5-6,9-10H,2-4,7-8,19H2,1H3
定義日:2019-07-03
最終更新日:2020-07-17
公開日:2020-07-22
識別子（ID）:ethyl 1-(4-azanylbutyl)-3-(3,4-dichlorophenyl)pyrazole-4-carboxylate
2WP
2WP
表記:S-ribosylhomocysteine
組成式:C9 H17 N O6 S
SMILES:O=C(O)C(N)CCSCC1OC(O)C(O)C1O
InChi:InChI=1S/C9H17NO6S/c10-4(8(13)14)1-2-17-3-5-6(11)7(12)9(15)16-5/h4-7,9,11-12,15H,1-3,10H2,(H,13,14)/t4-,5+,6+,7+,9-/m0/s1
別名:(2S)-2-amino-4-({[(2S,3S,4R,5S)-3,4,5-trihydroxytetrahydrofuran-2-yl]methyl}sulfanyl)butanoic acid
定義日:2014-03-13
最終更新日:2020-07-17
公開日:2014-03-26
識別子（ID）:(2S)-2-amino-4-({[(2S,3S,4R,5S)-3,4,5-trihydroxytetrahydrofuran-2-yl]methyl}sulfanyl)butanoic acid (non-preferred name)
2WS
2WS
表記:beta-D-xylopyranosyl-(1->4)-beta-D-xylopyranosyl-(1->4)-beta-D-xylopyranose
組成式:C15 H26 O13
SMILES:O(C1COC(O)C(O)C1O)C3OCC(OC2OCC(O)C(O)C2O)C(O)C3O
InChi:InChI=1S/C15H26O13/c16-4-1-25-14(11(21)7(4)17)28-6-3-26-15(12(22)9(6)19)27-5-2-24-13(23)10(20)8(5)18/h4-23H,1-3H2/t4-,5-,6-,7+,8+,9+,10-,11-,12-,13-,14+,15+/m1/s1
定義日:2014-03-19
最終更新日:2020-07-17
公開日:2014-05-07
識別子（ID）:beta-D-xylopyranosyl-(1->4)-beta-D-xylopyranosyl-(1->4)-beta-D-xylopyranose
KYK
KYK
表記:N6-benzyl-(alpha,beta)-methylene-ADP
組成式:C18 H23 N5 O9 P2
SMILES:O[CH]1[CH](O)[CH](O[CH]1CO[P](O)(=O)C[P](O)(O)=O)n2cnc3c(NCc4ccccc4)ncnc23
InChi:InChI=1S/C18H23N5O9P2/c24-14-12(7-31-34(29,30)10-33(26,27)28)32-18(15(14)25)23-9-22-13-16(20-8-21-17(13)23)19-6-11-4-2-1-3-5-11/h1-5,8-9,12,14-15,18,24-25H,6-7,10H2,(H,29,30)(H,19,20,21)(H2,26,27,28)/t12-,14-,15-,18-/m1/s1
定義日:2019-07-05
最終更新日:2020-07-17
公開日:2020-07-22
識別子（ID）:[[(2~{R},3~{S},4~{R},5~{R})-3,4-bis(oxidanyl)-5-[6-[(phenylmethyl)amino]purin-9-yl]oxolan-2-yl]methoxy-oxidanyl-phosphoryl]methylphosphonic acid
KYW
KYW
表記:(N6,N6)-methyl,benzyl-C2-chloro-(alpha,beta)-methylene-ADP
組成式:C19 H24 Cl N5 O9 P2
SMILES:CN(Cc1ccccc1)c2nc(Cl)nc3n(cnc23)[CH]4O[CH](CO[P](O)(=O)C[P](O)(O)=O)[CH](O)[CH]4O
InChi:InChI=1S/C19H24ClN5O9P2/c1-24(7-11-5-3-2-4-6-11)16-13-17(23-19(20)22-16)25(9-21-13)18-15(27)14(26)12(34-18)8-33-36(31,32)10-35(28,29)30/h2-6,9,12,14-15,18,26-27H,7-8,10H2,1H3,(H,31,32)(H2,28,29,30)/t12-,14-,15-,18-/m1/s1
定義日:2019-07-05
最終更新日:2020-07-17
公開日:2020-07-22
識別子（ID）:[[(2~{R},3~{S},4~{R},5~{R})-5-[2-chloranyl-6-[methyl-(phenylmethyl)amino]purin-9-yl]-3,4-bis(oxidanyl)oxolan-2-yl]methoxy-oxidanyl-phosphoryl]methylphosphonic acid
L3W
L3W
表記:[[(2~{R},3~{S},4~{R},5~{R})-5-(6-aminopurin-9-yl)-3,4-bis(oxidanyl)oxolan-2-yl]methoxy-oxidanyl-phosphoryl] [(2~{R},3~{S},4~{R},5~{R})-5-[[(1~{E},3~{Z})-5-azanyl-4-oxidanyl-5-oxidanylidene-penta-1,3-dienyl]-methanoyl-amino]-3,4-bis(oxidanyl)oxolan-2-yl]methyl hydrogen phosphate
組成式:C21 H29 N7 O16 P2
SMILES:NC(=O)C(O)=CC=CN(C=O)[CH]1O[CH](CO[P](O)(=O)O[P](O)(=O)OC[CH]2O[CH]([CH](O)[CH]2O)n3cnc4c(N)ncnc34)[CH](O)[CH]1O
InChi:InChI=1S/C21H29N7O16P2/c22-17-12-19(25-6-24-17)28(7-26-12)21-16(34)14(32)11(43-21)5-41-46(38,39)44-45(36,37)40-4-10-13(31)15(33)20(42-10)27(8-29)3-1-2-9(30)18(23)35/h1-3,6-8,10-11,13-16,20-21,30-34H,4-5H2,(H2,23,35)(H,36,37)(H,38,39)(H2,22,24,25)/b3-1+,9-2-/t10-,11-,13-,14-,15-,16-,20-,21-/m1/s1
定義日:2019-07-18
最終更新日:2020-07-17
公開日:2020-07-22
識別子（ID）:[[(2~{R},3~{S},4~{R},5~{R})-5-(6-aminopurin-9-yl)-3,4-bis(oxidanyl)oxolan-2-yl]methoxy-oxidanyl-phosphoryl] [(2~{R},3~{S},4~{R},5~{R})-5-[[(1~{E},3~{Z})-5-azanyl-4-oxidanyl-5-oxidanylidene-penta-1,3-dienyl]-methanoyl-amino]-3,4-bis(oxidanyl)oxolan-2-yl]methyl hydrogen phosphate
L6S
L6S
表記:6-O-sulfo-alpha-L-galactopyranose
組成式:C6 H12 O9 S
SMILES:O=S(=O)(O)OCC1OC(O)C(O)C(O)C1O
InChi:InChI=1S/C6H12O9S/c7-3-2(1-14-16(11,12)13)15-6(10)5(9)4(3)8/h2-10H,1H2,(H,11,12,13)/t2-,3+,4+,5-,6+/m0/s1
別名:6-O-sulfo-alpha-L-galactose
定義日:2009-08-27
最終更新日:2020-07-17
識別子（ID）:6-O-sulfo-alpha-L-galactopyranose
IEM
IEM
表記:2-methylpropyl 2-acetamido-2,4-dideoxy-alpha-L-threo-hex-4-enopyranosiduronic acid
組成式:C12 H19 N O6
SMILES:C(C1=CC(C(C(OCC(C)C)O1)NC(C)=O)O)(=O)O
InChi:InChI=1S/C12H19NO6/c1-6(2)5-18-12-10(13-7(3)14)8(15)4-9(19-12)11(16)17/h4,6,8,10,12,15H,5H2,1-3H3,(H,13,14)(H,16,17)/t8-,10+,12+/m0/s1
別名:5-ACETAMIDO-5,6-DIHYDRO-4-HYDROXY-6-ISOBUTOXY-4H-PYRAN-2-CARBOXYLIC ACID
定義日:2005-11-28
最終更新日:2020-07-17
識別子（ID）:2-methylpropyl 2-(acetylamino)-2,4-dideoxy-alpha-L-threo-hex-4-enopyranosiduronic acid
IN1
IN1
表記:4-(beta-D-glucopyranosyloxy)-2,2-dihydroxybutyl propanoate
組成式:C13 H24 O10
SMILES:O=C(OCC(O)(O)CCOC1OC(C(O)C(O)C1O)CO)CC
InChi:InChI=1S/C13H24O10/c1-2-8(15)22-6-13(19,20)3-4-21-12-11(18)10(17)9(16)7(5-14)23-12/h7,9-12,14,16-20H,2-6H2,1H3/t7-,9-,10+,11-,12-/m1/s1
別名:PROPIONIC ACID 2,2-DIHYDROXY-3-(1-GLUCOPYRANOSYLOXY)-METHYLPROPYL ESTER
定義日:1999-07-08
最終更新日:2020-07-17
識別子（ID）:4-(beta-D-glucopyranosyloxy)-2,2-dihydroxybutyl propanoate
IPT
IPT
表記:1-methylethyl 1-thio-beta-D-galactopyranoside
組成式:C9 H18 O5 S
SMILES:S(C(C)C)C1OC(C(O)C(O)C1O)CO
InChi:InChI=1S/C9H18O5S/c1-4(2)15-9-8(13)7(12)6(11)5(3-10)14-9/h4-13H,3H2,1-2H3/t5-,6+,7+,8-,9+/m1/s1
別名:ISOPROPYL-1-BETA-D-THIOGALACTOSIDE
定義日:1999-07-08
最終更新日:2020-07-17
識別子（ID）:1-methylethyl 1-thio-beta-D-galactopyranoside
ISL
ISL
表記:6-O-alpha-D-glucopyranosyl-D-fructose
組成式:C12 H22 O11
SMILES:O=C(CO)C(O)C(O)C(O)COC1OC(C(O)C(O)C1O)CO
InChi:InChI=1S/C12H22O11/c13-1-4(15)7(17)8(18)5(16)3-22-12-11(21)10(20)9(19)6(2-14)23-12/h5-14,16-21H,1-3H2/t5-,6-,7-,8-,9-,10+,11-,12+/m1/s1
別名:6-O-alpha-D-glucosyl-D-fructose
定義日:2012-10-03
最終更新日:2020-07-17
公開日:2013-09-25
識別子（ID）:6-O-alpha-D-glucopyranosyl-D-fructose
38J
38J
表記:alpha-D-glucopyranosyl-(1->4)-alpha-D-glucopyranosyl-(1->4)-beta-D-glucopyranose
組成式:C18 H32 O16
SMILES:O(C1C(OC(O)C(O)C1O)CO)C3OC(C(OC2OC(CO)C(O)C(O)C2O)C(O)C3O)CO
InChi:InChI=1S/C18H32O16/c19-1-4-7(22)8(23)12(27)17(31-4)34-15-6(3-21)32-18(13(28)10(15)25)33-14-5(2-20)30-16(29)11(26)9(14)24/h4-29H,1-3H2/t4-,5-,6-,7-,8+,9-,10-,11-,12-,13-,14-,15-,16?,17-,18-/m1/s1
別名:beta-MALTOTRIOSE
定義日:2014-07-07
最終更新日:2020-07-17
公開日:2014-07-16
識別子（ID）:alpha-D-glucopyranosyl-(1->4)-alpha-D-glucopyranosyl-(1->4)-beta-D-glucopyranose
LAH
LAH
表記:2-O-[(R)-hydroxy(propan-2-yloxy)phosphoryl]-alpha-L-arabinopyranose
組成式:C8 H17 O8 P
SMILES:O=P(OC1C(O)C(O)COC1O)(OC(C)C)O
InChi:InChI=1S/C8H17O8P/c1-4(2)15-17(12,13)16-7-6(10)5(9)3-14-8(7)11/h4-11H,3H2,1-2H3,(H,12,13)/t5-,6-,7+,8+/m0/s1
別名:2-O-[(R)-hydroxy(propan-2-yloxy)phosphoryl]-alpha-L-arabinose
定義日:2014-03-11
最終更新日:2020-07-17
公開日:2015-08-19
識別子（ID）:2-O-[(R)-hydroxy(propan-2-yloxy)phosphoryl]-alpha-L-arabinopyranose
LAK
LAK
表記:BETA-D-GALACTOPYRANOSYL-1-6-BETA-D-GLUCOPYRANOSE
組成式:C12 H22 O11
SMILES:O(CC1OC(O)C(O)C(O)C1O)C2OC(C(O)C(O)C2O)CO
InChi:InChI=1S/C12H22O11/c13-1-3-5(14)8(17)10(19)12(23-3)21-2-4-6(15)7(16)9(18)11(20)22-4/h3-20H,1-2H2/t3-,4-,5+,6-,7+,8+,9-,10-,11-,12-/m1/s1
別名:ALLOLACTOSE
定義日:2001-10-02
最終更新日:2020-07-17
識別子（ID）:6-O-beta-D-galactopyranosyl-beta-D-glucopyranose
LAT
LAT
表記:BETA-LACTOSE
組成式:C12 H22 O11
SMILES:O(C1C(OC(O)C(O)C1O)CO)C2OC(C(O)C(O)C2O)CO
InChi:InChI=1S/C12H22O11/c13-1-3-5(15)6(16)9(19)12(22-3)23-10-4(2-14)21-11(20)8(18)7(10)17/h3-20H,1-2H2/t3-,4-,5+,6+,7-,8-,9-,10-,11-,12+/m1/s1
定義日:1999-07-08
最終更新日:2020-07-17
識別子（ID）:4-O-beta-D-galactopyranosyl-beta-D-glucopyranose
LB2
LB2
表記:3-O-beta-D-glucopyranosyl-beta-D-glucopyranose
組成式:C12 H22 O11
SMILES:O(C1C(O)C(O)OC(CO)C1O)C2OC(C(O)C(O)C2O)CO
InChi:InChI=1S/C12H22O11/c13-1-3-5(15)7(17)8(18)12(22-3)23-10-6(16)4(2-14)21-11(20)9(10)19/h3-20H,1-2H2/t3-,4-,5-,6-,7+,8-,9-,10+,11-,12+/m1/s1
別名:Laminaribiose
定義日:2008-11-11
最終更新日:2020-07-17
識別子（ID）:3-O-beta-D-glucopyranosyl-beta-D-glucopyranose
LBS
LBS
表記:6-O-beta-D-fructofuranosyl-beta-D-fructofuranose
組成式:C12 H22 O11
SMILES:O2C(COC1(OC(C(O)C1O)CO)CO)C(O)C(O)C2(O)CO
InChi:InChI=1S/C12H22O11/c13-1-5-7(16)10(19)12(4-15,23-5)21-2-6-8(17)9(18)11(20,3-14)22-6/h5-10,13-20H,1-4H2/t5-,6-,7-,8-,9+,10+,11-,12-/m1/s1
定義日:2012-06-15
最終更新日:2020-07-17
識別子（ID）:6-O-beta-D-fructofuranosyl-beta-D-fructofuranose
LBT
LBT
表記:ALPHA-LACTOSE
組成式:C12 H22 O11
SMILES:O(C1C(OC(O)C(O)C1O)CO)C2OC(C(O)C(O)C2O)CO
InChi:InChI=1S/C12H22O11/c13-1-3-5(15)6(16)9(19)12(22-3)23-10-4(2-14)21-11(20)8(18)7(10)17/h3-20H,1-2H2/t3-,4-,5+,6+,7-,8-,9-,10-,11+,12+/m1/s1
定義日:2004-07-13
最終更新日:2020-07-17
識別子（ID）:4-O-beta-D-galactopyranosyl-alpha-D-glucopyranose
LEC
LEC
表記:4-nitrophenyl 2-acetamido-2-deoxy-beta-D-glucopyranoside
組成式:C14 H18 N2 O8
SMILES:[O-][N+](=O)c2ccc(OC1OC(C(O)C(O)C1NC(=O)C)CO)cc2
InChi:InChI=1S/C14H18N2O8/c1-7(18)15-11-13(20)12(19)10(6-17)24-14(11)23-9-4-2-8(3-5-9)16(21)22/h2-5,10-14,17,19-20H,6H2,1H3,(H,15,18)/t10-,11-,12-,13-,14-/m1/s1
別名:N-[(2S,3R,4R,5S,6R)-4,5-dihydroxy-6-(hydroxymethyl)-2-(4-nitrophenoxy)oxan-3-yl]ethanamide
定義日:2008-11-07
最終更新日:2020-07-17
識別子（ID）:4-nitrophenyl 2-(acetylamino)-2-deoxy-beta-D-glucopyranoside
3FM
3FM
表記:3-O-carbamoyl-alpha-D-mannopyranose
組成式:C7 H13 N O7
SMILES:O=C(OC1C(O)C(OC(O)C1O)CO)N
InChi:InChI=1S/C7H13NO7/c8-7(13)15-5-3(10)2(1-9)14-6(12)4(5)11/h2-6,9-12H,1H2,(H2,8,13)/t2-,3-,4+,5+,6+/m1/s1
別名:3-O-FORMAMIDO-ALPHA-D-MANNOPYRANOSIDE
定義日:1999-07-16
最終更新日:2020-07-17
識別子（ID）:3-O-carbamoyl-alpha-D-mannopyranose
3J3
3J3
表記:(1R)-1,5-anhydro-1-{[4-(sulfamoyloxy)piperidin-1-yl]sulfonyl}-D-galactitol
組成式:C11 H22 N2 O10 S2
SMILES:O=S(=O)(N1CCC(OS(=O)(=O)N)CC1)C2OC(C(O)C(O)C2O)CO
InChi:InChI=1S/C11H22N2O10S2/c12-25(20,21)23-6-1-3-13(4-2-6)24(18,19)11-10(17)9(16)8(15)7(5-14)22-11/h6-11,14-17H,1-5H2,(H2,12,20,21)/t7-,8+,9+,10-,11-/m1/s1
定義日:2014-08-22
最終更新日:2020-07-17
公開日:2014-10-15
識別子（ID）:(1R)-1,5-anhydro-1-{[4-(sulfamoyloxy)piperidin-1-yl]sulfonyl}-D-galactitol

223790

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