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LYX
LYX
表記:N''-(2-COENZYME A)-PROPANOYL-LYSINE
組成式:C30 H52 N9 O19 P3 S
SMILES:O=C(O)C(N)CCCCNC(=O)C(SCCNC(=O)CCNC(=O)C(O)C(C)(C)COP(=O)(O)OP(=O)(O)OCC3OC(n2cnc1c(ncnc12)N)C(O)C3OP(=O)(O)O)C
InChi:InChI=1S/C30H52N9O19P3S/c1-16(26(43)34-8-5-4-6-17(31)29(45)46)62-11-10-33-19(40)7-9-35-27(44)23(42)30(2,3)13-55-61(52,53)58-60(50,51)54-12-18-22(57-59(47,48)49)21(41)28(56-18)39-15-38-20-24(32)36-14-37-25(20)39/h14-18,21-23,28,41-42H,4-13,31H2,1-3H3,(H,33,40)(H,34,43)(H,35,44)(H,45,46)(H,50,51)(H,52,53)(H2,32,36,37)(H2,47,48,49)/t16-,17-,18+,21+,22+,23-,28+/m0/s1
定義日:2002-07-22
最終更新日:2024-09-27
識別子（ID）:(3S,5R,9R,19S,26S)-26-amino-1-[(2R,3S,4R,5R)-5-(6-amino-9H-purin-9-yl)-4-hydroxy-3-(phosphonooxy)tetrahydrofuran-2-yl]-3,5,9-trihydroxy-8,8,19-trimethyl-10,14,20-trioxo-2,4,6-trioxa-18-thia-11,15,21-triaza-3,5-diphosphaheptacosan-27-oic acid 3,5-dioxide (non-preferred name)
LYZ
LYZ
表記:5-HYDROXYLYSINE
組成式:C6 H14 N2 O3
SMILES:O=C(O)C(N)CCC(O)CN
InChi:InChI=1S/C6H14N2O3/c7-3-4(9)1-2-5(8)6(10)11/h4-5,9H,1-3,7-8H2,(H,10,11)/t4-,5+/m1/s1
定義日:1999-07-08
最終更新日:2024-09-27
識別子（ID）:(5R)-5-hydroxy-L-lysine
M0C
M0C
表記:(1R,2S,5S)-N-{(2S,3R)-4-(azetidin-1-yl)-3-hydroxy-4-oxo-1-[(3S)-2-oxopyrrolidin-3-yl]butan-2-yl}-6,6-dimethyl-3-[3-methyl-N-(trifluoroacetyl)-L-valyl]-3-azabicyclo[3.1.0]hexane-2-carboxamide
組成式:C27 H40 F3 N5 O6
SMILES:CC1(C)C2C(C(=O)NC(CC3CCNC3=O)C(O)C(=O)N3CCC3)N(CC21)C(=O)C(NC(=O)C(F)(F)F)C(C)(C)C
InChi:InChI=1S/C27H40F3N5O6/c1-25(2,3)19(33-24(41)27(28,29)30)23(40)35-12-14-16(26(14,4)5)17(35)21(38)32-15(11-13-7-8-31-20(13)37)18(36)22(39)34-9-6-10-34/h13-19,36H,6-12H2,1-5H3,(H,31,37)(H,32,38)(H,33,41)/t13-,14-,15-,16-,17-,18+,19+/m0/s1
定義日:2022-03-10
最終更新日:2024-09-27
公開日:2023-09-06
識別子（ID）:(1R,2S,5S)-N-{(2S,3R)-4-(azetidin-1-yl)-3-hydroxy-4-oxo-1-[(3S)-2-oxopyrrolidin-3-yl]butan-2-yl}-6,6-dimethyl-3-[3-methyl-N-(trifluoroacetyl)-L-valyl]-3-azabicyclo[3.1.0]hexane-2-carboxamide
M0H
M0H
表記:S-(HYDROXYMETHYL)-L-CYSTEINE
組成式:C4 H9 N O3 S
SMILES:O=C(O)C(N)CSCO
InChi:InChI=1S/C4H9NO3S/c5-3(4(7)8)1-9-2-6/h3,6H,1-2,5H2,(H,7,8)/t3-/m0/s1
定義日:2007-04-30
最終更新日:2024-09-27
識別子（ID）:S-(hydroxymethyl)-L-cysteine
8LJ
8LJ
表記:(2S)-2,3-dihydro-1H-pyrrole-2-carboxylic acid
組成式:C5 H7 N O2
SMILES:C(=O)(O)C1NC=CC1
InChi:InChI=1S/C5H7NO2/c7-5(8)4-2-1-3-6-4/h1,3-4,6H,2H2,(H,7,8)/t4-/m0/s1
定義日:2017-02-13
最終更新日:2024-09-27
公開日:2018-02-14
識別子（ID）:(2S)-2,3-dihydro-1H-pyrrole-2-carboxylic acid
8LR
8LR
表記:2-hydroxyethyl alpha-D-mannopyranoside
組成式:C8 H16 O7
SMILES:O(CCO)C1OC(C(O)C(O)C1O)CO
InChi:InChI=1S/C8H16O7/c9-1-2-14-8-7(13)6(12)5(11)4(3-10)15-8/h4-13H,1-3H2/t4-,5-,6+,7+,8+/m1/s1
別名:2-hydroxyethyl alpha-D-mannoside
定義日:2014-04-22
最終更新日:2024-09-27
公開日:2015-04-22
識別子（ID）:2-hydroxyethyl alpha-D-mannopyranoside
8LU
8LU
表記:(2R)-N-[4-[(3-chloranyl-4-fluoranyl-phenyl)amino]-7-(3-morpholin-4-ylpropoxy)quinazolin-6-yl]-1-(2-fluoranylethanoyl)pyrrolidine-2-carboxamide
組成式:C28 H31 Cl F2 N6 O4
SMILES:FCC(=O)N1CCC[CH]1C(=O)Nc2cc3c(Nc4ccc(F)c(Cl)c4)ncnc3cc2OCCCN5CCOCC5
InChi:InChI=1S/C28H31ClF2N6O4/c29-20-13-18(4-5-21(20)31)34-27-19-14-23(35-28(39)24-3-1-7-37(24)26(38)16-30)25(15-22(19)32-17-33-27)41-10-2-6-36-8-11-40-12-9-36/h4-5,13-15,17,24H,1-3,6-12,16H2,(H,35,39)(H,32,33,34)/t24-/m1/s1
定義日:2017-08-02
最終更新日:2024-09-27
公開日:2018-07-25
識別子（ID）:(2~{R})-~{N}-[4-[(3-chloranyl-4-fluoranyl-phenyl)amino]-7-(3-morpholin-4-ylpropoxy)quinazolin-6-yl]-1-(2-fluoranylethanoyl)pyrrolidine-2-carboxamide
8MC
8MC
表記:(7-methoxy-2-oxo-2H-chromen-4-yl)acetic acid
組成式:C12 H10 O5
SMILES:O=C(O)CC=1c2c(OC(=O)C=1)cc(OC)cc2
InChi:InChI=1S/C12H10O5/c1-16-8-2-3-9-7(4-11(13)14)5-12(15)17-10(9)6-8/h2-3,5-6H,4H2,1H3,(H,13,14)
定義日:2013-05-07
最終更新日:2024-09-27
公開日:2014-03-12
識別子（ID）:(7-methoxy-2-oxo-2H-chromen-4-yl)acetic acid
8MD
8MD
表記:(1S,2S,4S)-4-ethenylcyclohexane-1,2-diol
組成式:C8 H14 O2
SMILES:C1(CCC(C=C)CC1O)O
InChi:InChI=1S/C8H14O2/c1-2-6-3-4-7(9)8(10)5-6/h2,6-10H,1,3-5H2/t6-,7+,8-/m0/s1
定義日:2017-02-17
最終更新日:2024-09-27
公開日:2017-10-11
識別子（ID）:(1S,2S,4S)-4-ethenylcyclohexane-1,2-diol
M1M
M1M
表記:1,1-Methanediyl Bismethanethiosulfonate
組成式:C3 H8 O4 S4
SMILES:S(S(=O)(=O)C)CSS(=O)(=O)C
InChi:InChI=1S/C3H8O4S4/c1-10(4,5)8-3-9-11(2,6)7/h3H2,1-2H3
別名:S,S'-methylene dimethanesulfonothioate
定義日:2016-05-12
最終更新日:2024-09-27
公開日:2020-05-27
識別子（ID）:S,S'-methylene dimethanesulfonothioate
M1N
M1N
表記:(1R)-3-METHYL-1-{[N-(MORPHOLIN-4-YLCARBONYL)-3-(1-NAPHTHYL)-D-ALANYL]AMINO}BUTYLBORONIC ACID
組成式:C23 H32 B N3 O5
SMILES:O=C(NC(C(=O)NC(B(O)O)CC(C)C)Cc2c1ccccc1ccc2)N3CCOCC3
InChi:InChI=1S/C23H32BN3O5/c1-16(2)14-21(24(30)31)26-22(28)20(25-23(29)27-10-12-32-13-11-27)15-18-8-5-7-17-6-3-4-9-19(17)18/h3-9,16,20-21,30-31H,10-15H2,1-2H3,(H,25,29)(H,26,28)/t20-,21+/m1/s1
別名:N-(4-MORPHOLINE)CARBONYL-B-(1-NAPHTHYL)-L-ALANINE-L-LEUCINE BORONIC ACID
定義日:2006-01-10
最終更新日:2024-09-27
識別子（ID）:[(1R)-3-methyl-1-({(2R)-2-[(morpholin-4-ylcarbonyl)amino]-3-naphthalen-1-ylpropanoyl}amino)butyl]boronic acid (non-preferred name)
M1R
M1R
表記:1-{4-[2-{[(2S)-1-methylpyrrolidin-2-yl]methoxy}-7-(naphthalen-1-yl)-5,6,7,8-tetrahydropyrido[3,4-d]pyrimidin-4-yl]piperazin-1-yl}propan-1-one
組成式:C30 H38 N6 O2
SMILES:c5(N2Cc3nc(nc(N1CCN(CC1)C(CC)=O)c3CC2)OCC4N(C)CCC4)cccc6c5cccc6
InChi:InChI=1S/C30H38N6O2/c1-3-28(37)34-16-18-35(19-17-34)29-25-13-15-36(27-12-6-9-22-8-4-5-11-24(22)27)20-26(25)31-30(32-29)38-21-23-10-7-14-33(23)2/h4-6,8-9,11-12,23H,3,7,10,13-21H2,1-2H3/t23-/m0/s1
定義日:2019-10-31
最終更新日:2024-09-27
公開日:2020-04-22
識別子（ID）:1-{4-[2-{[(2S)-1-methylpyrrolidin-2-yl]methoxy}-7-(naphthalen-1-yl)-5,6,7,8-tetrahydropyrido[3,4-d]pyrimidin-4-yl]piperazin-1-yl}propan-1-one
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
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
4OG
4OG
表記:3-(1-benzothiophen-3-yl)-L-alanine
組成式:C11 H11 N O2 S
SMILES:c12scc(c1cccc2)CC(N)C(O)=O
InChi:InChI=1S/C11H11NO2S/c12-9(11(13)14)5-7-6-15-10-4-2-1-3-8(7)10/h1-4,6,9H,5,12H2,(H,13,14)/t9-/m0/s1
定義日:2015-04-28
最終更新日:2024-09-27
公開日:2016-03-02
識別子（ID）:3-(1-benzothiophen-3-yl)-L-alanine
4OJ
4OJ
表記:(2-methylphenyl) dihydrogen phosphate
組成式:C7 H9 O4 P
SMILES:O=P(O)(Oc1ccccc1C)O
InChi:InChI=1S/C7H9O4P/c1-6-4-2-3-5-7(6)11-12(8,9)10/h2-5H,1H3,(H2,8,9,10)
別名:o-cresyl-phosphate
定義日:2012-09-30
最終更新日:2024-09-27
公開日:2013-02-01
識別子（ID）:2-methylphenyl dihydrogen phosphate
4OO
4OO
表記:4-triaza-1,2-dien-2-ium-1-yl-L-phenylalanine
組成式:C9 H11 N4 O2
SMILES:N(=[N+]=N)c1ccc(CC(C(O)=O)N)cc1
InChi:InChI=1S/C9H10N4O2/c10-8(9(14)15)5-6-1-3-7(4-2-6)12-13-11/h1-4,8,11H,5,10H2/p+1/t8-/m0/s1
定義日:2015-04-29
最終更新日:2024-09-27
公開日:2015-09-16
識別子（ID）:4-triaza-1,2-dien-2-ium-1-yl-L-phenylalanine
4OU
4OU
表記:4-(acryloylamino)-L-phenylalanine
組成式:C12 H14 N2 O3
SMILES:c1(ccc(NC([C@H]=C)=O)cc1)CC(C(=O)O)N
InChi:InChI=1S/C12H14N2O3/c1-2-11(15)14-9-5-3-8(4-6-9)7-10(13)12(16)17/h2-6,10H,1,7,13H2,(H,14,15)(H,16,17)/t10-/m0/s1
定義日:2015-04-29
最終更新日:2024-09-27
公開日:2015-05-20
識別子（ID）:4-(acryloylamino)-L-phenylalanine
4OV
4OV
表記:(2R)-2-[(1R)-2-[(2S)-2-amino-2-carboxyethoxy]-1-{[(2R)-2-amino-2-phenylacetyl]amino}-2-oxoethyl]-5-methyl-3,6-dihydro-2H-1,3-thiazine-4-carboxylic acid
組成式:C19 H24 N4 O7 S
SMILES:C(O)(=O)C1=C(C)CSC(N1)C(C(=O)OCC(C(O)=O)N)NC(C(N)c2ccccc2)=O
InChi:InChI=1S/C19H24N4O7S/c1-9-8-31-16(23-13(9)18(27)28)14(19(29)30-7-11(20)17(25)26)22-15(24)12(21)10-5-3-2-4-6-10/h2-6,11-12,14,16,23H,7-8,20-21H2,1H3,(H,22,24)(H,25,26)(H,27,28)/t11-,12+,14-,16+/m0/s1
定義日:2015-04-29
最終更新日:2024-09-27
公開日:2015-05-20
識別子（ID）:(2R)-2-[(1R)-2-[(2S)-2-amino-2-carboxyethoxy]-1-{[(2R)-2-amino-2-phenylacetyl]amino}-2-oxoethyl]-5-methyl-3,6-dihydro-2H-1,3-thiazine-4-carboxylic acid
4OX
4OX
表記:4-OXODECANEDIOIC ACID
組成式:C10 H16 O5
SMILES:O=C(O)CCC(=O)CCCCCC(=O)O
InChi:InChI=1S/C10H16O5/c11-8(6-7-10(14)15)4-2-1-3-5-9(12)13/h1-7H2,(H,12,13)(H,14,15)
別名:4-OXOSEBACIC ACID
定義日:2001-08-01
最終更新日:2024-09-27
識別子（ID）:4-oxodecanedioic acid
M2L
M2L
表記:(2R)-2-amino-3-(2-dimethylaminoethylsulfanyl)propanoic acid
組成式:C7 H16 N2 O2 S
SMILES:O=C(O)C(N)CSCCN(C)C
InChi:InChI=1S/C7H16N2O2S/c1-9(2)3-4-12-5-6(8)7(10)11/h6H,3-5,8H2,1-2H3,(H,10,11)/t6-/m0/s1
定義日:2008-04-09
最終更新日:2024-09-27
識別子（ID）:S-[2-(dimethylamino)ethyl]-L-cysteine
M2P
M2P
表記:D-MANNITOL-1,6-DIPHOSPHATE
組成式:C6 H16 O12 P2
SMILES:O=P(O)(O)OCC(O)C(O)C(O)C(O)COP(=O)(O)O
InChi:InChI=1S/C6H16O12P2/c7-3(1-17-19(11,12)13)5(9)6(10)4(8)2-18-20(14,15)16/h3-10H,1-2H2,(H2,11,12,13)(H2,14,15,16)/t3-,4-,5-,6-/m1/s1
別名:1,6-DI-O-PHOSPHONO-D-MANNITOL
定義日:2005-04-26
最終更新日:2024-09-27
識別子（ID）:1,6-di-O-phosphono-D-mannitol
M2S
M2S
表記:3-{[(R)-methylsulfinyl]methyl}-L-valine
組成式:C7 H15 N O3 S
SMILES:O=S(C)CC(C)(C)C(N)C(=O)O
InChi:InChI=1S/C7H15NO3S/c1-7(2,4-12(3)11)5(8)6(9)10/h5H,4,8H2,1-3H3,(H,9,10)/t5-,12-/m1/s1
別名:3,3-dimethyl-methionine sulfoxide
定義日:2008-06-03
最終更新日:2024-09-27
識別子（ID）:3-{[(R)-methylsulfinyl]methyl}-L-valine
4PA
4PA
表記:PROPYL ACETATE
組成式:C5 H10 O2
SMILES:O=C(OCCC)C
InChi:InChI=1S/C5H10O2/c1-3-4-7-5(2)6/h3-4H2,1-2H3
定義日:2004-07-05
最終更新日:2024-09-27
識別子（ID）:propyl acetate
4PH
4PH
表記:4-methyl-L-phenylalanine
組成式:C10 H13 N O2
SMILES:O=C(O)C(N)Cc1ccc(cc1)C
InChi:InChI=1S/C10H13NO2/c1-7-2-4-8(5-3-7)6-9(11)10(12)13/h2-5,9H,6,11H2,1H3,(H,12,13)/t9-/m0/s1
定義日:2008-01-18
最終更新日:2024-09-27
識別子（ID）:4-methyl-L-phenylalanine

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