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PBC
PBC
表記:PHENYL BORONIC ACID
組成式:C6 H7 B O2
SMILES:OB(O)c1ccccc1
InChi:InChI=1S/C6H7BO2/c8-7(9)6-4-2-1-3-5-6/h1-5,8-9H
定義日:2001-08-29
最終更新日:2024-09-27
識別子（ID）:phenylboronic acid
Q5T
Q5T
表記:(4~{S})-4-[[(2~{S})-2-[[(2~{S})-2-[[(2~{S})-2-[3-[2-[2-[2-[2-[5-[(3~{a}~{S},4~{R},6~{a}~{R})-2-oxidanylidene-3,3~{a},4,6~{a}-tetrahydro-1~{H}-thieno[3,4-d]imidazol-4-yl]pentanoylamino]ethoxy]ethoxy]ethoxy]ethoxy]propanoylamino]butanoyl]amino]-3,3-dimethyl-butanoyl]amino]-4-methyl-pentanoyl]amino]-6-methylsulfonyl-hexanamide
組成式:C44 H80 N8 O13 S2
SMILES:CC[CH](NC(=O)CCOCCOCCOCCOCCNC(=O)CCCC[CH]1[SH]=C[CH]2NC(=O)N[CH]12)C(=O)N[CH](C(=O)N[CH](CC(C)C)C(=O)N[CH](CCC(N)=O)CC[S](C)(=O)=O)C(C)(C)C
InChi:InChI=1S/C44H80N8O13S2/c1-8-31(40(56)52-39(44(4,5)6)42(58)49-32(27-29(2)3)41(57)47-30(13-14-35(45)53)16-26-67(7,60)61)48-37(55)15-18-62-20-22-64-24-25-65-23-21-63-19-17-46-36(54)12-10-9-11-34-38-33(28-66-34)50-43(59)51-38/h28-34,38-39,66H,8-27H2,1-7H3,(H2,45,53)(H,46,54)(H,47,57)(H,48,55)(H,49,58)(H,52,56)(H2,50,51,59)/t30-,31-,32-,33-,34+,38-,39+/m0/s1
定義日:2020-05-18
最終更新日:2024-09-27
公開日:2020-06-17
識別子（ID）:(4~{S})-4-[[(2~{S})-2-[[(2~{S})-2-[[(2~{S})-2-[3-[2-[2-[2-[2-[5-[(3~{a}~{S},4~{R},6~{a}~{R})-2-oxidanylidene-3,3~{a},4,6~{a}-tetrahydro-1~{H}-thieno[3,4-d]imidazol-4-yl]pentanoylamino]ethoxy]ethoxy]ethoxy]ethoxy]propanoylamino]butanoyl]amino]-3,3-dimethyl-butanoyl]amino]-4-methyl-pentanoyl]amino]-6-methylsulfonyl-hexanamide
MUM
MUM
表記:5'-O-(dihydroxyphosphanyl)-5-methyl-5,6-dihydrouridine
組成式:C10 H17 N2 O8 P
SMILES:C1(C(NC(N(C1)C2OC(C(O)C2O)COP(O)O)=O)=O)C
InChi:InChI=1S/C10H17N2O8P/c1-4-2-12(10(16)11-8(4)15)9-7(14)6(13)5(20-9)3-19-21(17)18/h4-7,9,13-14,17-18H,2-3H2,1H3,(H,11,15,16)/t4-,5-,6-,7-,9-/m1/s1
定義日:2018-06-04
最終更新日:2024-09-27
公開日:2018-10-24
識別子（ID）:5'-O-(dihydroxyphosphanyl)-5-methyl-5,6-dihydrouridine
PBE
PBE
表記:1,1-DIMETHYL-PROLINIUM
組成式:C7 H14 N O2
SMILES:O=C(O)C1[N+](C)(C)CCC1
InChi:InChI=1S/C7H13NO2/c1-8(2)5-3-4-6(8)7(9)10/h6H,3-5H2,1-2H3/p+1/t6-/m0/s1
別名:PROLINE BETAINE
定義日:2000-04-20
最終更新日:2024-09-27
識別子（ID）:(2S)-2-carboxy-1,1-dimethylpyrrolidinium
M1V
M1V
表記:mesobiliverdin IX(alpha)
組成式:C33 H38 N4 O6
SMILES:CCC1=C(C)C(NC1=O)=CC2=NC(=Cc3[nH]c(C=C4NC(=O)C(=C4CC)C)c(C)c3CCC(O)=O)C(=C2C)CCC(O)=O
InChi:InChI=1S/C33H38N4O6/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/h13-15,35H,7-12H2,1-6H3,(H,36,43)(H,37,42)(H,38,39)(H,40,41)/b26-13-,27-14-,28-15-
定義日:2013-07-31
最終更新日:2024-09-27
公開日:2014-06-18
識別子（ID）:3-[5-[(Z)-(3-ethyl-4-methyl-5-oxidanylidene-pyrrol-2-ylidene)methyl]-2-[(Z)-[5-[(Z)-(4-ethyl-3-methyl-5-oxidanylidene-pyrrol-2-ylidene)methyl]-3-(3-hydroxy-3-oxopropyl)-4-methyl-pyrrol-2-ylidene]methyl]-4-methyl-1H-pyrrol-3-yl]propanoic acid
OXP
OXP
表記:2-OXO-3-PENTENOIC ACID
組成式:C5 H6 O3
SMILES:O=C(C=C/C)C(=O)O
InChi:InChI=1S/C5H6O3/c1-2-3-4(6)5(7)8/h2-3H,1H3,(H,7,8)/b3-2-
定義日:1999-07-08
最終更新日:2024-09-27
識別子（ID）:(3Z)-2-oxopent-3-enoic acid
OHI
OHI
表記:3-(2-OXO-2H-IMIDAZOL-4-YL)-L-ALANINE
組成式:C6 H7 N3 O3
SMILES:O=C1N=C(C=N1)CC(N)C(=O)O
InChi:InChI=1S/C6H7N3O3/c7-4(5(10)11)1-3-2-8-6(12)9-3/h2,4H,1,7H2,(H,10,11)/t4-/m0/s1
定義日:2007-07-10
最終更新日:2024-09-27
識別子（ID）:3-(2-oxo-2H-imidazol-4-yl)-L-alanine
PBF
PBF
表記:PARA-(BENZOYL)-PHENYLALANINE
組成式:C16 H15 N O3
SMILES:O=C(O)C(N)Cc1ccc(cc1)C(=O)c2ccccc2
InChi:InChI=1S/C16H15NO3/c17-14(16(19)20)10-11-6-8-13(9-7-11)15(18)12-4-2-1-3-5-12/h1-9,14H,10,17H2,(H,19,20)/t14-/m0/s1
定義日:2000-02-22
最終更新日:2024-09-27
識別子（ID）:4-(phenylcarbonyl)-L-phenylalanine
L8F
L8F
表記:N-(2-{7-[(4-acetylpiperazin-1-yl)methyl]-1H-indol-3-yl}ethyl)acetamide
組成式:C19 H26 N4 O2
SMILES:CC(=O)NCCc1c[NH]c2c(CN3CCN(CC3)C(C)=O)cccc21
InChi:InChI=1S/C19H26N4O2/c1-14(24)20-7-6-16-12-21-19-17(4-3-5-18(16)19)13-22-8-10-23(11-9-22)15(2)25/h3-5,12,21H,6-11,13H2,1-2H3,(H,20,24)
定義日:2023-08-15
最終更新日:2024-09-27
公開日:2023-11-08
識別子（ID）:N-(2-{7-[(4-acetylpiperazin-1-yl)methyl]-1H-indol-3-yl}ethyl)acetamide
SJW
SJW
表記:3-pyridin-3-ylpropanal
組成式:C8 H9 N O2
SMILES:OC(=O)CCc1cccnc1
InChi:InChI=1S/C8H9NO2/c10-8(11)4-3-7-2-1-5-9-6-7/h1-2,5-6H,3-4H2,(H,10,11)
定義日:2020-11-20
最終更新日:2024-09-27
公開日:2021-12-01
識別子（ID）:3-pyridin-3-ylpropanoic acid
TSQ
TSQ
表記:4-(trimethylsilyl)-L-phenylalanine
組成式:C12 H19 N O2 Si
SMILES:c1cc(CC(C(O)=O)N)ccc1[Si](C)(C)C
InChi:InChI=1S/C12H19NO2Si/c1-16(2,3)10-6-4-9(5-7-10)8-11(13)12(14)15/h4-7,11H,8,13H2,1-3H3,(H,14,15)/t11-/m0/s1
定義日:2019-02-04
最終更新日:2024-09-27
公開日:2020-09-09
識別子（ID）:4-(trimethylsilyl)-L-phenylalanine
M1X
M1X
表記:{(2S)-4-[7-(8-chloronaphthalen-1-yl)-2-{[(2S)-1-methylpyrrolidin-2-yl]methoxy}-5,6,7,8-tetrahydropyrido[3,4-d]pyrimidin-4-yl]-1-[(2S)-2-fluoropropanoyl]piperazin-2-yl}acetonitrile
組成式:C32 H37 Cl F N7 O2
SMILES:n2c(N1CCN(C(C(C)F)=O)C(C1)CC#N)c4CCN(Cc4nc2OCC3N(C)CCC3)c5cccc6c5c(ccc6)Cl
InChi:InChI=1S/C32H37ClFN7O2/c1-21(34)31(42)41-17-16-40(18-23(41)11-13-35)30-25-12-15-39(28-10-4-7-22-6-3-9-26(33)29(22)28)19-27(25)36-32(37-30)43-20-24-8-5-14-38(24)2/h3-4,6-7,9-10,21,23-24H,5,8,11-12,14-20H2,1-2H3/t21-,23-,24-/m0/s1
定義日:2019-11-01
最終更新日:2024-09-27
公開日:2020-04-22
識別子（ID）:{(2S)-4-[7-(8-chloronaphthalen-1-yl)-2-{[(2S)-1-methylpyrrolidin-2-yl]methoxy}-5,6,7,8-tetrahydropyrido[3,4-d]pyrimidin-4-yl]-1-[(2S)-2-fluoropropanoyl]piperazin-2-yl}acetonitrile
MUP
MUP
表記:METHOXYUNDECYLPHOSPHINIC ACID
組成式:C12 H27 O3 P
SMILES:O=P(O)(OC)CCCCCCCCCCC
InChi:InChI=1S/C12H27O3P/c1-3-4-5-6-7-8-9-10-11-12-16(13,14)15-2/h3-12H2,1-2H3,(H,13,14)
定義日:1999-07-08
最終更新日:2024-09-27
識別子（ID）:methyl hydrogen (S)-undecylphosphonate
TSR
TSR
表記:2-(1H-INDOL-3-YL)ACETAMIDE
組成式:C10 H10 N2 O
SMILES:O=C(N)Cc2c1ccccc1nc2
InChi:InChI=1S/C10H10N2O/c11-10(13)5-7-6-12-9-4-2-1-3-8(7)9/h1-4,6,12H,5H2,(H2,11,13)
定義日:2005-08-09
最終更新日:2024-09-27
識別子（ID）:2-(1H-indol-3-yl)acetamide
Q5X
Q5X
表記:4-chloranyl-6-fluoranyl-~{N}3-[2-fluoranyl-4-(oxetan-3-yl)phenyl]-~{N}1-[(2-methoxyphenyl)methyl]benzene-1,3-dicarboxamide
組成式:C25 H21 Cl F2 N2 O4
SMILES:COc1ccccc1CNC(=O)c2cc(C(=O)Nc3ccc(cc3F)C4COC4)c(Cl)cc2F
InChi:InChI=1S/C25H21ClF2N2O4/c1-33-23-5-3-2-4-15(23)11-29-24(31)18-9-17(19(26)10-20(18)27)25(32)30-22-7-6-14(8-21(22)28)16-12-34-13-16/h2-10,16H,11-13H2,1H3,(H,29,31)(H,30,32)
定義日:2022-10-14
最終更新日:2024-09-27
公開日:2022-12-28
識別子（ID）:4-chloranyl-6-fluoranyl-~{N}3-[2-fluoranyl-4-(oxetan-3-yl)phenyl]-~{N}1-[(2-methoxyphenyl)methyl]benzene-1,3-dicarboxamide
1VL
1VL
表記:(3S)-1-{[4-(1,3-benzodioxol-5-ylmethyl)piperazin-1-yl]methyl}-3-hydroxy-1,3-dihydro-2H-indol-2-one
組成式:C21 H23 N3 O4
SMILES:O=C2N(c1ccccc1C2O)CN3CCN(CC3)Cc4ccc5OCOc5c4
InChi:InChI=1S/C21H23N3O4/c25-20-16-3-1-2-4-17(16)24(21(20)26)13-23-9-7-22(8-10-23)12-15-5-6-18-19(11-15)28-14-27-18/h1-6,11,20,25H,7-10,12-14H2/t20-/m0/s1
定義日:2013-06-20
最終更新日:2024-09-27
公開日:2014-04-16
識別子（ID）:(3S)-1-{[4-(1,3-benzodioxol-5-ylmethyl)piperazin-1-yl]methyl}-3-hydroxy-1,3-dihydro-2H-indol-2-one
TSS
TSS
表記:2-(1H-INDOL-3-YL)ETHANAMINE
組成式:C10 H12 N2
SMILES:c1cccc2c1c(cn2)CCN
InChi:InChI=1S/C10H12N2/c11-6-5-8-7-12-10-4-2-1-3-9(8)10/h1-4,7,12H,5-6,11H2
別名:TRYPTAMINE
定義日:2005-08-08
最終更新日:2024-09-27
識別子（ID）:2-(1H-indol-3-yl)ethanamine
OXU
OXU
表記:2-bromanylethanamine
組成式:C2 H6 Br N
SMILES:NCCBr
InChi:InChI=1S/C2H6BrN/c3-1-2-4/h1-2,4H2
定義日:2023-08-22
最終更新日:2024-09-27
公開日:2023-09-27
識別子（ID）:2-bromanylethanamine
TDD
TDD
表記:(2R)-2-amino-3,3-dimethyl-butanoic acid
組成式:C6 H13 N O2
SMILES:O=C(O)C(N)C(C)(C)C
InChi:InChI=1S/C6H13NO2/c1-6(2,3)4(7)5(8)9/h4H,7H2,1-3H3,(H,8,9)/t4-/m0/s1
別名:D-tert-leucine
定義日:2008-06-02
最終更新日:2024-09-27
識別子（ID）:3-methyl-D-valine
OHO
OHO
表記:CYCLOHEXANE AMINOCARBOXYLIC ACID
組成式:C7 H13 N O2
SMILES:O=C(O)NC1CCCCC1
InChi:InChI=1S/C7H13NO2/c9-7(10)8-6-4-2-1-3-5-6/h6,8H,1-5H2,(H,9,10)
定義日:1999-07-08
最終更新日:2024-09-27
識別子（ID）:cyclohexylcarbamic acid
OXX
OXX
表記:OXALYL-ASPARTYL ANHYDRIDE
組成式:C6 H6 N O7
SMILES:O=C(OC(=O)CC(N)C(=O)O)C([O-])=O
InChi:InChI=1S/C6H7NO7/c7-2(4(9)10)1-3(8)14-6(13)5(11)12/h2H,1,7H2,(H,9,10)(H,11,12)/p-1/t2-/m0/s1
定義日:2004-05-20
最終更新日:2024-09-27
識別子（ID）:{[(3S)-3-amino-3-carboxypropanoyl]oxy}(oxo)acetate (non-preferred name)
TDF
TDF
表記:4-(trifluoromethyl)-D-phenylalanine
組成式:C10 H10 F3 N O2
SMILES:FC(F)(F)c1ccc(cc1)CC(C(=O)O)N
InChi:InChI=1S/C10H10F3NO2/c11-10(12,13)7-3-1-6(2-4-7)5-8(14)9(15)16/h1-4,8H,5,14H2,(H,15,16)/t8-/m1/s1
定義日:2011-09-15
最終更新日:2024-09-27
識別子（ID）:4-(trifluoromethyl)-D-phenylalanine
RC7
RC7
表記:2-[(4Z)-4-[(4-hydroxyphenyl)methylidene]-2-[(E)-2-(1H-imidazol-4-yl)ethenyl]-5-oxidanylidene-imidazol-1-yl]ethanoic acid
組成式:C17 H14 N4 O4
SMILES:OC(=O)CN1C(=O)C(=Cc2ccc(O)cc2)N=C1C=Cc3c[nH]cn3
InChi:InChI=1S/C17H14N4O4/c22-13-4-1-11(2-5-13)7-14-17(25)21(9-16(23)24)15(20-14)6-3-12-8-18-10-19-12/h1-8,10,22H,9H2,(H,18,19)(H,23,24)/b6-3+,14-7-
別名:RED CHROMOPHORE (HIS-TYR-GLY)
定義日:2007-03-23
最終更新日:2024-09-27
識別子（ID）:2-[(4~{Z})-4-[(4-hydroxyphenyl)methylidene]-2-[(~{E})-2-(1~{H}-imidazol-4-yl)ethenyl]-5-oxidanylidene-imidazol-1-yl]ethanoic acid
OXY
OXY
表記:OXYGEN MOLECULE
組成式:O2
SMILES:O=O
InChi:InChI=1S/O2/c1-2
定義日:1999-07-08
最終更新日:2024-09-27
識別子（ID）:molecular oxygen
1VR
1VR
表記:(3R)-3-amino-4-methylpentanoic acid
組成式:C6 H13 N O2
SMILES:O=C(O)CC(N)C(C)C
InChi:InChI=1S/C6H13NO2/c1-4(2)5(7)3-6(8)9/h4-5H,3,7H2,1-2H3,(H,8,9)/t5-/m1/s1
別名:beta-3-homovaline
定義日:2013-06-21
最終更新日:2024-09-27
公開日:2013-09-04
識別子（ID）:(3R)-3-amino-4-methylpentanoic acid

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