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A1LWV
A1LWV
表記:(2~{S})-2-azanyl-6-(5-oxidanylidenepentanoylamino)hexanoic acid
組成式:C11 H20 N2 O4
SMILES:N[CH](CCCCNC(=O)CCCC=O)C(O)=O
InChi:InChI=1S/C11H20N2O4/c12-9(11(16)17)5-1-3-7-13-10(15)6-2-4-8-14/h8-9H,1-7,12H2,(H,13,15)(H,16,17)/t9-/m0/s1
定義日:2024-01-18
最終更新日:2024-09-27
公開日:2024-01-24
識別子（ID）:(2~{S})-2-azanyl-6-(5-oxidanylidenepentanoylamino)hexanoic acid
A1LWW
A1LWW
表記:5-azanyl-3-[2-[4,6-bis(fluoranyl)-2-methyl-3~{H}-benzimidazol-5-yl]ethynyl]-1-[[3-(prop-2-enoylamino)phenyl]methyl]pyrazole-4-carboxamide
組成式:C24 H19 F2 N7 O2
SMILES:Cc1[nH]c2c(F)c(C#Cc3nn(Cc4cccc(NC(=O)C=C)c4)c(N)c3C(N)=O)c(F)cc2n1
InChi:InChI=1S/C24H19F2N7O2/c1-3-19(34)31-14-6-4-5-13(9-14)11-33-23(27)20(24(28)35)17(32-33)8-7-15-16(25)10-18-22(21(15)26)30-12(2)29-18/h3-6,9-10H,1,11,27H2,2H3,(H2,28,35)(H,29,30)(H,31,34)
定義日:2024-01-22
最終更新日:2024-09-27
公開日:2024-06-26
識別子（ID）:5-azanyl-3-[2-[4,6-bis(fluoranyl)-2-methyl-3~{H}-benzimidazol-5-yl]ethynyl]-1-[[3-(prop-2-enoylamino)phenyl]methyl]pyrazole-4-carboxamide
AQ7
AQ7
表記:N-[(3R)-1-propanoylpiperidine-3-carbonyl]-L-alanine
組成式:C12 H20 N2 O4
SMILES:C(=O)(CC)N1CC(C(NC(C)C(=O)O)=O)CCC1
InChi:InChI=1S/C12H20N2O4/c1-3-10(15)14-6-4-5-9(7-14)11(16)13-8(2)12(17)18/h8-9H,3-7H2,1-2H3,(H,13,16)(H,17,18)/t8-,9+/m0/s1
別名:N-[(3R)-1-acryloylpiperidine-3-carbonyl]-L-alanine, bound form
定義日:2017-07-21
最終更新日:2024-09-27
公開日:2018-01-17
識別子（ID）:N-[(3R)-1-propanoylpiperidine-3-carbonyl]-L-alanine
AQR
AQR
表記:(2R,4aS,6aS,12bR,14aS,14bR)-10-hydroxy-2,4a,6a,9,12b,14a-hexamethyl-11-oxo-1,2,3,4,4a,5,6,6a,11,12b,13,14,14a,14b-tetradecahydropicene-2-carboxylic acid
組成式:C29 H38 O4
SMILES:C1=C2C(C(C)=C(C1=O)O)=CC=C3C4(C(CCC23C)(C5C(CC4)(CCC(C5)(C(=O)O)C)C)C)C
InChi:InChI=1S/C29H38O4/c1-17-18-7-8-21-27(4,19(18)15-20(30)23(17)31)12-14-29(6)22-16-26(3,24(32)33)10-9-25(22,2)11-13-28(21,29)5/h7-8,15,22,31H,9-14,16H2,1-6H3,(H,32,33)/t22-,25-,26-,27+,28-,29+/m1/s1
定義日:2018-11-20
最終更新日:2024-09-27
公開日:2022-12-28
識別子（ID）:(2R,4aS,6aS,12bR,14aS,14bR)-10-hydroxy-2,4a,6a,9,12b,14a-hexamethyl-11-oxo-1,2,3,4,4a,5,6,6a,11,12b,13,14,14a,14b-tetradecahydropicene-2-carboxylic acid
AR0
AR0
表記:4-amino-1-{[amino(iminio)methyl]amino}-6-[4-(carboxymethyl)pyridinium-1-yl]-1,2,3,4,6-pentadeoxy-D-erythro-hexitol
組成式:C14 H25 N5 O3
SMILES:O=C(O)Cc1cc[n+](cc1)CC(O)C(N)CCCNC(=[NH2+])N
InChi:InChI=1S/C14H23N5O3/c15-11(2-1-5-18-14(16)17)12(20)9-19-6-3-10(4-7-19)8-13(21)22/h3-4,6-7,11-12,20H,1-2,5,8-9,15H2,(H4-,16,17,18,21,22)/p+2/t11-,12+/m0/s1
定義日:2010-09-17
最終更新日:2024-09-27
識別子（ID）:4-amino-1-{[amino(iminio)methyl]amino}-6-[4-(carboxymethyl)pyridinium-1-yl]-1,2,3,4,6-pentadeoxy-D-erythro-hexitol
AR7
AR7
表記:amino{[(4S)-4-amino-5,5-dihydroxypentyl]amino}methaniminium
組成式:C6 H17 N4 O2
SMILES:OC(O)C(N)CCCNC(=[NH2+])N
InChi:InChI=1S/C6H16N4O2/c7-4(5(11)12)2-1-3-10-6(8)9/h4-5,11-12H,1-3,7H2,(H4,8,9,10)/p+1/t4-/m0/s1
定義日:2010-09-24
最終更新日:2024-09-27
識別子（ID）:amino{[(4S)-4-amino-5,5-dihydroxypentyl]amino}methaniminium
ARA
ARA
表記:alpha-L-arabinopyranose
組成式:C5 H10 O5
SMILES:OC1C(O)COC(O)C1O
InChi:InChI=1S/C5H10O5/c6-2-1-10-5(9)4(8)3(2)7/h2-9H,1H2/t2-,3-,4+,5+/m0/s1
別名:alpha-L-arabinose
定義日:1999-07-08
最終更新日:2024-09-27
識別子（ID）:alpha-L-arabinopyranose
1ZV
1ZV
表記:amino({3-[(3R,5R,14S,16S,21aR)-5,14-dihydroxy-1,4,17-trioxo-16-(2-phenylethyl)icosahydro-1H-pyrrolo[1,2-d][1,4,7,11]tetraazacyclononadecin-3-yl]propyl}amino)methaniminium
組成式:C30 H50 N7 O5
SMILES:O=C1N3C(C(=O)NC(C(=O)C(O)NCCCCCCCC(O)NC1CCc2ccccc2)CCCNC(=[NH2+])N)CCC3
InChi:InChI=1S/C30H49N7O5/c31-30(32)34-19-9-13-22-26(39)28(41)33-18-8-3-1-2-7-15-25(38)35-23(17-16-21-11-5-4-6-12-21)29(42)37-20-10-14-24(37)27(40)36-22/h4-6,11-12,22-25,28,33,35,38,41H,1-3,7-10,13-20H2,(H,36,40)(H4,31,32,34)/p+1/t22-,23+,24-,25+,28?/m0/s1
定義日:2008-08-27
最終更新日:2024-09-27
識別子（ID）:amino({3-[(3S,5R,14R,16R,21aS)-5,14-dihydroxy-1,4,17-trioxo-16-(2-phenylethyl)icosahydro-1H-pyrrolo[1,2-d][1,4,7,11]tetraazacyclononadecin-3-yl]propyl}amino)methaniminium
200
200
表記:4-CHLORO-L-PHENYLALANINE
組成式:C9 H10 Cl N O2
SMILES:Clc1ccc(cc1)CC(C(=O)O)N
InChi:InChI=1S/C9H10ClNO2/c10-7-3-1-6(2-4-7)5-8(11)9(12)13/h1-4,8H,5,11H2,(H,12,13)/t8-/m0/s1
定義日:2005-09-15
最終更新日:2024-09-27
識別子（ID）:4-chloro-L-phenylalanine
ARF
ARF
表記:FORMAMIDE
組成式:C H3 N O
SMILES:O=CN
InChi:InChI=1S/CH3NO/c2-1-3/h1H,(H2,2,3)
定義日:2006-09-21
最終更新日:2024-09-27
識別子（ID）:formamide
ARG
ARG
表記:ARGININE
組成式:C6 H15 N4 O2
SMILES:O=C(O)C(N)CCCNC(=[NH2+])N
InChi:InChI=1S/C6H14N4O2/c7-4(5(11)12)2-1-3-10-6(8)9/h4H,1-3,7H2,(H,11,12)(H4,8,9,10)/p+1/t4-/m0/s1
定義日:1999-07-08
最終更新日:2024-09-27
識別子（ID）:amino{[(4S)-4-amino-4-carboxybutyl]amino}methaniminium
ARM
ARM
表記:DEOXY-METHYL-ARGININE
組成式:C7 H16 N4 O
SMILES:O=C(C)C(N)CCCNC(=[N@H])N
InChi:InChI=1S/C7H16N4O/c1-5(12)6(8)3-2-4-11-7(9)10/h6H,2-4,8H2,1H3,(H4,9,10,11)/t6-/m0/s1
定義日:1999-07-08
最終更新日:2024-09-27
識別子（ID）:1-[(4S)-4-amino-5-oxohexyl]guanidine
ARN
ARN
表記:1-IMINO-5-PENTANONE
組成式:C5 H9 N O
SMILES:O=CCCCC=[N@H]
InChi:InChI=1S/C5H9NO/c6-4-2-1-3-5-7/h4-6H,1-3H2
定義日:1999-09-22
最終更新日:2024-09-27
識別子（ID）:(5E)-5-iminopentanal
ARO
ARO
表記:C-GAMMA-HYDROXY ARGININE
組成式:C6 H15 N4 O3
SMILES:O=C(O)C(N)CC(O)CNC(N)=[NH2+]
InChi:InChI=1S/C6H14N4O3/c7-4(5(12)13)1-3(11)2-10-6(8)9/h3-4,11H,1-2,7H2,(H,12,13)(H4,8,9,10)/p+1/t3-,4+/m1/s1
定義日:2000-09-05
最終更新日:2024-09-27
識別子（ID）:amino{[(2R,4S)-4-amino-2,5-dihydroxy-5-oxopentyl]amino}methaniminium
20G
20G
表記:N-{1-[(2,4-dichlorophenoxy)acetyl]piperidin-4-yl}-4-sulfanylbutanamide
組成式:C17 H22 Cl2 N2 O3 S
SMILES:O=C(N1CCC(NC(=O)CCCS)CC1)COc2ccc(Cl)cc2Cl
InChi:InChI=1S/C17H22Cl2N2O3S/c18-12-3-4-15(14(19)10-12)24-11-17(23)21-7-5-13(6-8-21)20-16(22)2-1-9-25/h3-4,10,13,25H,1-2,5-9,11H2,(H,20,22)
定義日:2013-08-12
最終更新日:2024-09-27
公開日:2013-11-27
識別子（ID）:N-{1-[(2,4-dichlorophenoxy)acetyl]piperidin-4-yl}-4-sulfanylbutanamide
20H
20H
表記:1-[(2,4-dichlorophenoxy)acetyl]-N-(2-sulfanylethyl)piperidine-4-carboxamide
組成式:C16 H20 Cl2 N2 O3 S
SMILES:O=C(N1CCC(C(=O)NCCS)CC1)COc2ccc(Cl)cc2Cl
InChi:InChI=1S/C16H20Cl2N2O3S/c17-12-1-2-14(13(18)9-12)23-10-15(21)20-6-3-11(4-7-20)16(22)19-5-8-24/h1-2,9,11,24H,3-8,10H2,(H,19,22)
定義日:2013-08-12
最終更新日:2024-09-27
公開日:2013-11-27
識別子（ID）:1-[(2,4-dichlorophenoxy)acetyl]-N-(2-sulfanylethyl)piperidine-4-carboxamide
AS2
AS2
表記:(2R)-2-AMINO-4-OXOBUTANOIC ACID
組成式:C4 H7 N O3
SMILES:O=CCC(N)C(=O)O
InChi:InChI=1S/C4H7NO3/c5-3(1-2-6)4(7)8/h2-3H,1,5H2,(H,7,8)/t3-/m1/s1
別名:ASPARTATE SEMIALDEHYDE
定義日:2003-07-10
最終更新日:2024-09-27
識別子（ID）:(2R)-2-amino-4-oxobutanoic acid
ASA
ASA
表記:ASPARTIC ALDEHYDE
組成式:C4 H7 N O3
SMILES:O=CC(N)CC(=O)O
InChi:InChI=1S/C4H7NO3/c5-3(2-6)1-4(7)8/h2-3H,1,5H2,(H,7,8)/t3-/m0/s1
定義日:1999-07-08
最終更新日:2024-09-27
識別子（ID）:(3S)-3-amino-4-oxobutanoic acid
ASB
ASB
表記:ASPARTIC ACID-4-CARBOXYMETHYL ESTER
組成式:C6 H9 N O6
SMILES:O=C(OCC(=O)O)CC(C(=O)O)N
InChi:InChI=1S/C6H9NO6/c7-3(6(11)12)1-5(10)13-2-4(8)9/h3H,1-2,7H2,(H,8,9)(H,11,12)/t3-/m0/s1
定義日:1999-07-08
最終更新日:2024-09-27
識別子（ID）:(2S)-2-amino-4-(carboxymethoxy)-4-oxobutanoic acid (non-preferred name)
ASD
ASD
表記:4-ANDROSTENE-3-17-DIONE
組成式:C19 H26 O2
SMILES:O=C3CCC4C2C(C1(C(=CC(=O)CC1)CC2)C)CCC34C
InChi:InChI=1S/C19H26O2/c1-18-9-7-13(20)11-12(18)3-4-14-15-5-6-17(21)19(15,2)10-8-16(14)18/h11,14-16H,3-10H2,1-2H3/t14-,15-,16-,18-,19-/m0/s1
定義日:2000-02-23
最終更新日:2024-09-27
識別子（ID）:androst-4-ene-3,17-dione
ASJ
ASJ
表記:(3S)-3-amino-4-hydroxybutanoic acid
組成式:C4 H9 N O3
SMILES:O=C(O)CC(N)CO
InChi:InChI=1S/C4H9NO3/c5-3(2-6)1-4(7)8/h3,6H,1-2,5H2,(H,7,8)/t3-/m0/s1
定義日:2010-10-07
最終更新日:2024-09-27
識別子（ID）:(3S)-3-amino-4-hydroxybutanoic acid
219
219
表記:cyclohexylmethyl 2-formylphenyl hydrogen (S)-phosphate
組成式:C14 H19 O5 P
SMILES:c1ccc(c(c1)OP(O)(OCC2CCCCC2)=O)C=O
InChi:InChI=1S/C14H19O5P/c15-10-13-8-4-5-9-14(13)19-20(16,17)18-11-12-6-2-1-3-7-12/h4-5,8-10,12H,1-3,6-7,11H2,(H,16,17)
別名:PAS219
定義日:2003-06-20
最終更新日:2024-09-27
識別子（ID）:cyclohexylmethyl 2-formylphenyl hydrogen (S)-phosphate
ASL
ASL
表記:ASPARTIC ACID-4-CARBOXYETHYL ESTER
組成式:C7 H11 N O6
SMILES:O=C(OC(C(=O)O)C)CC(C(=O)O)N
InChi:InChI=1S/C7H11NO6/c1-3(6(10)11)14-5(9)2-4(8)7(12)13/h3-4H,2,8H2,1H3,(H,10,11)(H,12,13)
定義日:1999-09-09
最終更新日:2024-09-27
識別子（ID）:2-amino-4-(1-carboxyethoxy)-4-oxobutanoic acid (non-preferred name)
ASN
ASN
表記:ASPARAGINE
組成式:C4 H8 N2 O3
SMILES:O=C(N)CC(N)C(=O)O
InChi:InChI=1S/C4H8N2O3/c5-2(4(8)9)1-3(6)7/h2H,1,5H2,(H2,6,7)(H,8,9)/t2-/m0/s1
定義日:1999-07-08
最終更新日:2024-09-27
識別子（ID）:L-asparagine
21C
21C
表記:N-{1-[N-(4,5-dichloro-2-hydroxyphenyl)glycyl]piperidin-4-yl}ethanesulfonamide
組成式:C15 H21 Cl2 N3 O4 S
SMILES:O=C(N1CCC(NS(=O)(=O)CC)CC1)CNc2cc(Cl)c(Cl)cc2O
InChi:InChI=1S/C15H21Cl2N3O4S/c1-2-25(23,24)19-10-3-5-20(6-4-10)15(22)9-18-13-7-11(16)12(17)8-14(13)21/h7-8,10,18-19,21H,2-6,9H2,1H3
定義日:2013-08-14
最終更新日:2024-09-27
公開日:2013-11-27
識別子（ID）:N-{1-[N-(4,5-dichloro-2-hydroxyphenyl)glycyl]piperidin-4-yl}ethanesulfonamide

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