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J5V
J5V
表記:N-(3-phenylprop-2-yn-1-yl)acetamide
組成式:C11 H11 N O
SMILES:C(c1ccccc1)#CCNC(=O)C
InChi:InChI=1S/C11H11NO/c1-10(13)12-9-5-8-11-6-3-2-4-7-11/h2-4,6-7H,9H2,1H3,(H,12,13)
定義日:2018-08-13
最終更新日:2024-09-27
公開日:2019-12-18
識別子（ID）:N-(3-phenylprop-2-yn-1-yl)acetamide
J6S
J6S
表記:(3E,5E)-6-(4-nitrophenyl)-2-oxohexa-3,5-dienoic acid
組成式:C12 H9 N O5
SMILES:C(C([C@H]=CC=Cc1ccc([N+](=O)[O-])cc1)=O)(O)=O
InChi:InChI=1S/C12H9NO5/c14-11(12(15)16)4-2-1-3-9-5-7-10(8-6-9)13(17)18/h1-8H,(H,15,16)/b3-1+,4-2+
別名:4-nitro-cinnamylidenepyruvate, bound form
定義日:2018-08-15
最終更新日:2024-09-27
公開日:2019-08-14
識別子（ID）:(3E,5E)-6-(4-nitrophenyl)-2-oxohexa-3,5-dienoic acid
J6Z
J6Z
表記:(2R)-butane-2-sulfonate
組成式:C4 H9 O3 S
SMILES:[O-]S(=O)(=O)C(C)CC
InChi:InChI=1S/C4H10O3S/c1-3-4(2)8(5,6)7/h4H,3H2,1-2H3,(H,5,6,7)/p-1/t4-/m1/s1
定義日:2009-07-23
最終更新日:2024-09-27
識別子（ID）:(2R)-butane-2-sulfonate
J7H
J7H
表記:(2~{R})-2-azanyl-2-methyl-heptanoic acid
組成式:C8 H17 N O2
SMILES:CCCCC[C](C)(N)C(O)=O
InChi:InChI=1S/C8H17NO2/c1-3-4-5-6-8(2,9)7(10)11/h3-6,9H2,1-2H3,(H,10,11)/t8-/m1/s1
定義日:2019-02-08
最終更新日:2024-09-27
公開日:2019-10-02
識別子（ID）:(2~{R})-2-azanyl-2-methyl-heptanoic acid
J8T
J8T
表記:[(3~{R})-4-azanyl-2,2-dimethyl-3-oxidanyl-4-oxidanylidene-butyl] dihydrogen phosphate
組成式:C6 H14 N O6 P
SMILES:CC(C)(CO[P](O)(O)=O)[CH](O)C(N)=O
InChi:InChI=1S/C6H14NO6P/c1-6(2,4(8)5(7)9)3-13-14(10,11)12/h4,8H,3H2,1-2H3,(H2,7,9)(H2,10,11,12)/t4-/m0/s1
定義日:2019-02-11
最終更新日:2024-09-27
公開日:2020-03-18
識別子（ID）:[(3~{R})-4-azanyl-2,2-dimethyl-3-oxidanyl-4-oxidanylidene-butyl] dihydrogen phosphate
J8W
J8W
表記:(2~{S})-2-azanyl-3-(3-oxidanyl-3-oxidanylidene-propanoyl)oxy-propanoic acid
組成式:C6 H9 N O6
SMILES:N[CH](COC(=O)CC(O)=O)C(O)=O
InChi:InChI=1S/C6H9NO6/c7-3(6(11)12)2-13-5(10)1-4(8)9/h3H,1-2,7H2,(H,8,9)(H,11,12)/t3-/m0/s1
定義日:2019-02-11
最終更新日:2024-09-27
公開日:2020-03-18
識別子（ID）:(2~{S})-2-azanyl-3-(3-oxidanyl-3-oxidanylidene-propanoyl)oxy-propanoic acid
J9A
J9A
表記:N-[(2S)-2-amino-2-carboxyethyl]-L-alpha-glutamine
組成式:C8 H15 N3 O5
SMILES:O=C(O)CCC(N)C(=O)NCC(C(=O)O)N
InChi:InChI=1S/C8H15N3O5/c9-4(1-2-6(12)13)7(14)11-3-5(10)8(15)16/h4-5H,1-3,9-10H2,(H,11,14)(H,12,13)(H,15,16)/t4-,5-/m0/s1
定義日:2018-08-24
最終更新日:2024-09-27
公開日:2019-08-14
識別子（ID）:N-[(2S)-2-amino-2-carboxyethyl]-L-alpha-glutamine
J9F
J9F
表記:(4S)-2-(2-hydroxyphenyl)-4,5-dihydro-1,3-thiazole-4-carboxylic acid
組成式:C10 H9 N O3 S
SMILES:OC(=O)[CH]1CSC(=N1)c2ccccc2O
InChi:InChI=1S/C10H9NO3S/c12-8-4-2-1-3-6(8)9-11-7(5-15-9)10(13)14/h1-4,7,12H,5H2,(H,13,14)/t7-/m1/s1
定義日:2021-04-28
最終更新日:2024-09-27
公開日:2021-12-22
識別子（ID）:(4~{S})-2-(2-hydroxyphenyl)-4,5-dihydro-1,3-thiazole-4-carboxylic acid
JAO
JAO
表記:(2S)-2-methylheptadecan-1-ol
組成式:C18 H38 O
SMILES:OCC(CCCCCCCCCCCCCCC)C
InChi:InChI=1S/C18H38O/c1-3-4-5-6-7-8-9-10-11-12-13-14-15-16-18(2)17-19/h18-19H,3-17H2,1-2H3/t18-/m0/s1
定義日:2013-04-10
最終更新日:2024-09-27
公開日:2013-04-24
識別子（ID）:(2S)-2-methylheptadecan-1-ol
JAZ
JAZ
表記:6-PHOSPHOCYCLOPHELLITOL
組成式:C7 H15 O9 P
SMILES:O[CH]1[CH](O)[CH](O)[CH](CO[P](O)(O)=O)[CH](O)[CH]1O
InChi:InChI=1S/C7H15O9P/c8-3-2(1-16-17(13,14)15)4(9)6(11)7(12)5(3)10/h2-12H,1H2,(H2,13,14,15)/t2-,3-,4-,5+,6+,7-/m1/s1
定義日:2015-11-24
最終更新日:2024-09-27
公開日:2016-02-17
識別子（ID）:[(2R,3S,5S,6R)-2,3,4,5,6-pentakis(oxidanyl)cyclohexyl]methyl dihydrogen phosphate
JBY
JBY
表記:(2S)-2-{(4Z)-2-(aminomethyl)-4-[(4-hydroxyphenyl)methylidene]-5-oxo-4,5-dihydro-1H-imidazol-1-yl}propanoic acid
組成式:C14 H15 N3 O4
SMILES:C1(=NC(C(=O)N1C(C(=O)O)C)=C/c2ccc(O)cc2)CN
InChi:InChI=1S/C14H15N3O4/c1-8(14(20)21)17-12(7-15)16-11(13(17)19)6-9-2-4-10(18)5-3-9/h2-6,8,18H,7,15H2,1H3,(H,20,21)/b11-6-/t8-/m0/s1
別名:Gly-Ala-Try Chromophore
定義日:2018-08-29
最終更新日:2024-09-27
公開日:2019-03-13
識別子（ID）:(2S)-2-{(4Z)-2-(aminomethyl)-4-[(4-hydroxyphenyl)methylidene]-5-oxo-4,5-dihydro-1H-imidazol-1-yl}propanoic acid
BSA
BSA
表記:2-(BENZOYLAMINO)ETHANESULFONIC ACID
組成式:C9 H11 N O4 S
SMILES:O=C(NCCS(=O)(=O)O)c1ccccc1
InChi:InChI=1S/C9H11NO4S/c11-9(8-4-2-1-3-5-8)10-6-7-15(12,13)14/h1-5H,6-7H2,(H,10,11)(H,12,13,14)
定義日:2005-02-11
最終更新日:2024-09-27
識別子（ID）:2-[(phenylcarbonyl)amino]ethanesulfonic acid
BSE
BSE
表記:BETA-3-SERINE
組成式:C4 H9 N O3
SMILES:O=C(O)C(CN)CO
InChi:InChI=1S/C4H9NO3/c5-1-3(2-6)4(7)8/h3,6H,1-2,5H2,(H,7,8)/t3-/m0/s1
定義日:2001-06-01
最終更新日:2024-09-27
識別子（ID）:(2S)-3-amino-2-(hydroxymethyl)propanoic acid
BSF
BSF
表記:{[(benzylsulfonyl)amino]methyl}boronic acid
組成式:C8 H12 B N O4 S
SMILES:O=S(=O)(NCB(O)O)Cc1ccccc1
InChi:InChI=1S/C8H12BNO4S/c11-9(12)7-10-15(13,14)6-8-4-2-1-3-5-8/h1-5,10-12H,6-7H2
定義日:2010-08-03
最終更新日:2024-09-27
識別子（ID）:{[(benzylsulfonyl)amino]methyl}boronic acid
BSG
BSG
表記:4-({[(dihydroxyboranyl)methyl]sulfamoyl}methyl)benzoic acid
組成式:C9 H12 B N O6 S
SMILES:O=S(=O)(NCB(O)O)Cc1ccc(cc1)C(=O)O
InChi:InChI=1S/C9H12BNO6S/c12-9(13)8-3-1-7(2-4-8)5-18(16,17)11-6-10(14)15/h1-4,11,14-15H,5-6H2,(H,12,13)
定義日:2010-08-03
最終更新日:2024-09-27
識別子（ID）:4-({[(dihydroxyboranyl)methyl]sulfamoyl}methyl)benzoic acid
BSH
BSH
表記:3-[(2R)-2-[(benzylsulfonyl)amino]-2-(dihydroxyboranyl)ethyl]benzoic acid
組成式:C16 H18 B N O6 S
SMILES:O=S(=O)(NC(B(O)O)Cc1cccc(C(=O)O)c1)Cc2ccccc2
InChi:InChI=1S/C16H18BNO6S/c19-16(20)14-8-4-7-13(9-14)10-15(17(21)22)18-25(23,24)11-12-5-2-1-3-6-12/h1-9,15,18,21-22H,10-11H2,(H,19,20)/t15-/m0/s1
定義日:2010-08-03
最終更新日:2024-09-27
識別子（ID）:3-[(2R)-2-[(benzylsulfonyl)amino]-2-(dihydroxyboranyl)ethyl]benzoic acid
BT6
BT6
表記:benzenethiol
組成式:C6 H6 S
SMILES:Sc1ccccc1
InChi:InChI=1S/C6H6S/c7-6-4-2-1-3-5-6/h1-5,7H
定義日:2009-06-11
最終更新日:2024-09-27
識別子（ID）:benzenethiol
BT7
BT7
表記:(1S)-2,2-difluoro-1-[1-(pentan-3-yl)-1H-pyrazol-4-yl]ethan-1-ol
組成式:C10 H16 F2 N2 O
SMILES:n1n(C(CC)CC)cc(C(C(F)F)O)c1
InChi:InChI=1S/C10H16F2N2O/c1-3-8(4-2)14-6-7(5-13-14)9(15)10(11)12/h5-6,8-10,15H,3-4H2,1-2H3/t9-/m0/s1
定義日:2017-08-24
最終更新日:2024-09-27
公開日:2018-01-10
識別子（ID）:(1S)-2,2-difluoro-1-[1-(pentan-3-yl)-1H-pyrazol-4-yl]ethan-1-ol
BTH
BTH
表記:4-OXO-3-{6-[4-(QUINOXALIN-2-YLAMINO)-BENZOYLAMINO]-2-THIOPHEN-2-YL-HEXANOYLAMINO}-PENTANOIC ACID
組成式:C30 H31 N5 O5 S
SMILES:O=C(O)CC(C(=O)C)NC(=O)C(c1sccc1)CCCCNC(=O)c4ccc(Nc2nc3c(nc2)cccc3)cc4
InChi:InChI=1S/C30H31N5O5S/c1-19(36)25(17-28(37)38)35-30(40)22(26-10-6-16-41-26)7-4-5-15-31-29(39)20-11-13-21(14-12-20)33-27-18-32-23-8-2-3-9-24(23)34-27/h2-3,6,8-14,16,18,22,25H,4-5,7,15,17H2,1H3,(H,31,39)(H,33,34)(H,35,40)(H,37,38)/t22-,25+/m1/s1
定義日:2004-01-09
最終更新日:2024-09-27
識別子（ID）:(3S)-4-oxo-3-{[(2S)-6-({[4-(quinoxalin-2-ylamino)phenyl]carbonyl}amino)-2-thiophen-2-ylhexanoyl]amino}pentanoic acid
BTI
BTI
表記:5-(HEXAHYDRO-2-OXO-1H-THIENO[3,4-D]IMIDAZOL-6-YL)PENTANAL
組成式:C10 H16 N2 O2 S
SMILES:O=C1NC2C(SCC2N1)CCCCC=O
InChi:InChI=1S/C10H16N2O2S/c13-5-3-1-2-4-8-9-7(6-15-8)11-10(14)12-9/h5,7-9H,1-4,6H2,(H2,11,12,14)/t7-,8-,9-/m0/s1
定義日:2005-03-25
最終更新日:2024-09-27
識別子（ID）:5-[(3aS,4S,6aR)-2-oxohexahydro-1H-thieno[3,4-d]imidazol-4-yl]pentanal
BTK
BTK
表記:N~6~-butanoyl-L-lysine
組成式:C10 H20 N2 O3
SMILES:O=C(O)C(N)CCCCNC(=O)CCC
InChi:InChI=1S/C10H20N2O3/c1-2-5-9(13)12-7-4-3-6-8(11)10(14)15/h8H,2-7,11H2,1H3,(H,12,13)(H,14,15)/t8-/m0/s1
定義日:2010-05-18
最終更新日:2024-09-27
識別子（ID）:N~6~-butanoyl-L-lysine
BTL
BTL
表記:BETAINE ALDEHYDE
組成式:C5 H12 N O
SMILES:O=CC[N+](C)(C)C
InChi:InChI=1S/C5H12NO/c1-6(2,3)4-5-7/h5H,4H2,1-3H3/q+1
別名:[FORMYLMETHYL]TRIMETHYL-AMMONIUM
定義日:2004-08-30
最終更新日:2024-09-27
識別子（ID）:N,N,N-trimethyl-2-oxoethanaminium
BTN
BTN
表記:BIOTIN
組成式:C10 H16 N2 O3 S
SMILES:O=C1NC2C(SCC2N1)CCCCC(=O)O
InChi:InChI=1S/C10H16N2O3S/c13-8(14)4-2-1-3-7-9-6(5-16-7)11-10(15)12-9/h6-7,9H,1-5H2,(H,13,14)(H2,11,12,15)/t6-,7-,9-/m0/s1
定義日:1999-07-08
最終更新日:2024-09-27
識別子（ID）:5-[(3aS,4S,6aR)-2-oxohexahydro-1H-thieno[3,4-d]imidazol-4-yl]pentanoic acid
BTR
BTR
表記:6-BROMO-TRYPTOPHAN
組成式:C11 H11 Br N2 O2
SMILES:O=C(O)C(N)Cc2c1ccc(Br)cc1nc2
InChi:InChI=1S/C11H11BrN2O2/c12-7-1-2-8-6(3-9(13)11(15)16)5-14-10(8)4-7/h1-2,4-5,9,14H,3,13H2,(H,15,16)/t9-/m0/s1
定義日:1999-07-08
最終更新日:2024-09-27
識別子（ID）:6-bromo-L-tryptophan
BTW
BTW
表記:(2S,3R)-2-benzyl-3-sulfanylbutanoic acid
組成式:C11 H14 O2 S
SMILES:O=C(O)C(C(S)C)Cc1ccccc1
InChi:InChI=1S/C11H14O2S/c1-8(14)10(11(12)13)7-9-5-3-2-4-6-9/h2-6,8,10,14H,7H2,1H3,(H,12,13)/t8-,10-/m1/s1
別名:(2S,3R)-2-benzyl-3-mercaptobutanoic acid
定義日:2009-07-09
最終更新日:2024-09-27
識別子（ID）:(2S,3R)-2-benzyl-3-sulfanylbutanoic acid

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