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PXP
PXP
表記:PYRIDOXINE-5'-PHOSPHATE
組成式:C8 H12 N O6 P
SMILES:O=P(O)(O)OCc1cnc(c(O)c1CO)C
InChi:InChI=1S/C8H12NO6P/c1-5-8(11)7(3-10)6(2-9-5)4-15-16(12,13)14/h2,10-11H,3-4H2,1H3,(H2,12,13,14)
定義日:2000-12-12
最終更新日:2024-09-27
識別子（ID）:[5-hydroxy-4-(hydroxymethyl)-6-methylpyridin-3-yl]methyl dihydrogen phosphate
PXQ
PXQ
表記:3-[5-[[(3~{R},4~{R})-3-ethyl-4-methyl-5-oxidanylidene-3,4-dihydropyrrol-2-yl]methyl]-2-[[5-[(~{Z})-(4-ethyl-3-methyl-5-oxidanylidene-pyrrol-2-ylidene)methyl]-3-(3-hydroxy-3-oxopropyl)-4-methyl-1~{H}-pyrrol-2-yl]methyl]-4-methyl-1~{H}-pyrrol-3-yl]propanoic acid
組成式:C33 H42 N4 O6
SMILES:CC[CH]1[CH](C)C(=O)N=C1Cc2[nH]c(Cc3[nH]c(C=C4NC(=O)C(=C4C)CC)c(C)c3CCC(O)=O)c(CCC(O)=O)c2C
InChi:InChI=1S/C33H42N4O6/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/h13,19-20,34-35H,7-12,14-15H2,1-6H3,(H,36,43)(H,38,39)(H,40,41)/b26-13-/t19-,20-/m1/s1
定義日:2020-05-01
最終更新日:2024-09-27
公開日:2021-01-20
識別子（ID）:3-[5-[[(3~{R},4~{R})-3-ethyl-4-methyl-5-oxidanylidene-3,4-dihydropyrrol-2-yl]methyl]-2-[[5-[(~{Z})-(4-ethyl-3-methyl-5-oxidanylidene-pyrrol-2-ylidene)methyl]-3-(3-hydroxy-3-oxopropyl)-4-methyl-1~{H}-pyrrol-2-yl]methyl]-4-methyl-1~{H}-pyrrol-3-yl]propanoic acid
T71
T71
表記:1-{4-[(2,5-dimethylphenyl)sulfonyl]piperazin-1-yl}ethan-1-one
組成式:C14 H20 N2 O3 S
SMILES:N2(CCN(S(c1c(ccc(c1)C)C)(=O)=O)CC2)C(C)=O
InChi:InChI=1S/C14H20N2O3S/c1-11-4-5-12(2)14(10-11)20(18,19)16-8-6-15(7-9-16)13(3)17/h4-5,10H,6-9H2,1-3H3
定義日:2020-03-16
最終更新日:2024-09-27
公開日:2020-03-25
識別子（ID）:1-{4-[(2,5-dimethylphenyl)sulfonyl]piperazin-1-yl}ethan-1-one
TMM
TMM
表記:1,3,5-BENZENETRICARBOXYLIC ACID
組成式:C9 H6 O6
SMILES:O=C(O)c1cc(cc(C(=O)O)c1)C(=O)O
InChi:InChI=1S/C9H6O6/c10-7(11)4-1-5(8(12)13)3-6(2-4)9(14)15/h1-3H,(H,10,11)(H,12,13)(H,14,15)
定義日:1999-07-08
最終更新日:2024-09-27
識別子（ID）:benzene-1,3,5-tricarboxylic acid
SDJ
SDJ
表記:(2S)-3-(1H-imidazol-5-yl)-2-({[(3S,4aR,8aS)-2-(N-phenyl-beta-alanyl)decahydroisoquinolin-3-yl]methyl}amino)propanal
組成式:C25 H35 N5 O2
SMILES:O=C(N3C(CNC(C=O)Cc1ncnc1)CC2CCCCC2C3)CCNc4ccccc4
InChi:InChI=1S/C25H35N5O2/c31-17-23(13-22-14-26-18-29-22)28-15-24-12-19-6-4-5-7-20(19)16-30(24)25(32)10-11-27-21-8-2-1-3-9-21/h1-3,8-9,14,17-20,23-24,27-28H,4-7,10-13,15-16H2,(H,26,29)/t19-,20-,23+,24+/m1/s1
定義日:2015-07-03
最終更新日:2024-09-27
公開日:2016-06-22
識別子（ID）:(2S)-3-(1H-imidazol-5-yl)-2-({[(3S,4aR,8aS)-2-(N-phenyl-beta-alanyl)decahydroisoquinolin-3-yl]methyl}amino)propanal
NH3
NH3
表記:AMMONIA
組成式:H3 N
SMILES:N
InChi:InChI=1S/H3N/h1H3
定義日:1999-09-30
最終更新日:2024-09-27
識別子（ID）:ammonia
ORG
ORG
表記:4-(cyclohexylamino)-6-piperazin-1-yl-1,3,5-triazine-2-carbonitrile
組成式:C14 H21 N7
SMILES:N#Cc1nc(NC2CCCCC2)nc(n1)N3CCNCC3
InChi:InChI=1S/C14H21N7/c15-10-12-18-13(17-11-4-2-1-3-5-11)20-14(19-12)21-8-6-16-7-9-21/h11,16H,1-9H2,(H,17,18,19,20)
定義日:2009-12-22
最終更新日:2024-09-27
識別子（ID）:4-(cyclohexylamino)-6-piperazin-1-yl-1,3,5-triazine-2-carbonitrile
WET
WET
表記:L-7-Hydroxy-1,2,3,4-tetrahydroisoquinoline-3-carboxylic acid
組成式:C10 H11 N O3
SMILES:OC(=O)[CH]1Cc2ccc(O)cc2CN1
InChi:InChI=1S/C10H11NO3/c12-8-2-1-6-4-9(10(13)14)11-5-7(6)3-8/h1-3,9,11-12H,4-5H2,(H,13,14)/t9-/m0/s1
別名:(3~{S})-7-oxidanyl-1,2,3,4-tetrahydroisoquinoline-3-carboxylic acid
定義日:2023-10-03
最終更新日:2024-09-27
公開日:2024-03-27
識別子（ID）:(3~{S})-7-oxidanyl-1,2,3,4-tetrahydroisoquinoline-3-carboxylic acid
VKZ
VKZ
表記:4-[2-(4-azanyl-9-chloranyl-2',3',4',5',6'-pentamethyl-7-oxidanylidene-spiro[1$l^{4},8-diaza-9$l^{8}-iridabicyclo[4.3.0]nona-1,3,5-triene-9,1'-1$l^{8}-iridapentacyclo[2.2.0.0^{1,3}.0^{1,5}.0^{2,6}]hexane]-8-yl)ethyl]benzenesulfonamide
組成式:C24 H30 Cl Ir N4 O3 S
SMILES:CC1C(C)C(C)C(C)C1C.Nc2cc[n+]3[Ir](Cl)N(CCc4ccc(cc4)[S](N)(=O)=O)C(=O)c3c2
InChi:InChI=1S/C14H16N4O3S.C10H15.ClH.Ir/c15-11-6-8-17-13(9-11)14(19)18-7-5-10-1-3-12(4-2-10)22(16,20)21
定義日:2021-05-26
最終更新日:2024-09-27
公開日:2021-12-01
識別子（ID）:4-[2-(4'-azanyl-1-chloranyl-2,3,4,5,6-pentamethyl-7'-oxidanylidene-spiro[1$l^{8}-iridapentacyclo[2.2.0.0^{1,3}.0^{1,5}.0^{2,6}]hexane-1,9'-8-aza-1-azonia-9$l^{8}-iridabicyclo[4.3.0]nona-1,3,5-triene]-8'-yl)ethyl]benzenesulfonamide
SCH
SCH
表記:S-METHYL-THIO-CYSTEINE
組成式:C4 H9 N O2 S2
SMILES:O=C(O)C(N)CSSC
InChi:InChI=1S/C4H9NO2S2/c1-8-9-2-3(5)4(6)7/h3H,2,5H2,1H3,(H,6,7)/t3-/m0/s1
定義日:1999-07-08
最終更新日:2024-09-27
識別子（ID）:3-(methyldisulfanyl)-L-alanine
SDK
SDK
表記:1,3-BIS[[N-[(PHENYLMETHOXY)CARBONYL]-L-LEUCYL]AMINO]-2-PROPANONE
組成式:C31 H42 N4 O7
SMILES:O=C(OCc1ccccc1)NC(C(=O)NCC(=O)CNC(=O)C(NC(=O)OCc2ccccc2)CC(C)C)CC(C)C
InChi:InChI=1S/C31H42N4O7/c1-21(2)15-26(34-30(39)41-19-23-11-7-5-8-12-23)28(37)32-17-25(36)18-33-29(38)27(16-22(3)4)35-31(40)42-20-24-13-9-6-10-14-24/h5-14,21-22,26-27H,15-20H2,1-4H3,(H,32,37)(H,33,38)(H,34,39)(H,35,40)/t26-,27-/m0/s1
別名:SYMMETRIC DIACYLAMINOETHYL KETONE
定義日:1999-07-08
最終更新日:2024-09-27
識別子（ID）:benzyl [(1S,9S)-1,9-bis(2-methylpropyl)-2,5,8,11-tetraoxo-13-phenyl-12-oxa-3,7,10-triazatridec-1-yl]carbamate (non-preferred name)
T5Z
T5Z
表記:2-(4-bromanyl-3-methoxy-phenoxy)-2-methyl-~{N}-(2-sulfanylethyl)propanamide
組成式:C13 H18 Br N O3 S
SMILES:COc1cc(OC(C)(C)C(=O)NCCS)ccc1Br
InChi:InChI=1S/C13H18BrNO3S/c1-13(2,12(16)15-6-7-19)18-9-4-5-10(14)11(8-9)17-3/h4-5,8,19H,6-7H2,1-3H3,(H,15,16)
定義日:2020-12-15
最終更新日:2024-09-27
公開日:2021-07-07
識別子（ID）:2-(4-bromanyl-3-methoxy-phenoxy)-2-methyl-~{N}-(2-sulfanylethyl)propanamide
ORH
ORH
表記:3,5-dioxo-4-(3-piperidin-1-ylpropyl)-2-[3-(trifluoromethyl)phenyl]-2,3,4,5-tetrahydro-1,2,4-triazine-6-carbonitrile
組成式:C19 H20 F3 N5 O2
SMILES:FC(F)(F)c1cccc(c1)N2N=C(C#N)C(=O)N(CCCN3CCCCC3)C2=O
InChi:InChI=1S/C19H20F3N5O2/c20-19(21,22)14-6-4-7-15(12-14)27-18(29)26(17(28)16(13-23)24-27)11-5-10-25-8-2-1-3-9-25/h4,6-7,12H,1-3,5,8-11H2
定義日:2009-12-22
最終更新日:2024-09-27
識別子（ID）:3,5-dioxo-4-(3-piperidin-1-ylpropyl)-2-[3-(trifluoromethyl)phenyl]-1,2,4-triazine-6-carbonitrile
NH4
NH4
表記:AMMONIUM ION
組成式:H4 N
SMILES:[NH4+]
InChi:InChI=1S/H3N/h1H3/p+1
定義日:1999-07-08
最終更新日:2024-09-27
識別子（ID）:ammonium
PXS
PXS
表記:(2S)-propane-1,2-diyl dihexadecanoate
組成式:C35 H68 O4
SMILES:O=C(OC(C)COC(=O)CCCCCCCCCCCCCCC)CCCCCCCCCCCCCCC
InChi:InChI=1S/C35H68O4/c1-4-6-8-10-12-14-16-18-20-22-24-26-28-30-34(36)38-32-33(3)39-35(37)31-29-27-25-23-21-19-17-15-13-11-9-7-5-2/h33H,4-32H2,1-3H3/t33-/m0/s1
定義日:2009-09-25
最終更新日:2024-09-27
識別子（ID）:(2S)-propane-1,2-diyl dihexadecanoate
LVS
LVS
表記:4-IODO-3-NITROPHENYL ACETYL-LEUCINYL-LEUCINYL-LEUCINYL-VINYLSULFONE
組成式:C28 H43 I N4 O8 S
SMILES:O=[N+]([O-])c1cc(cc(I)c1O)CC(=O)NC(C(=O)NC(C(=O)NC(C=C/S(=O)(=O)C)CC(C)C)CC(C)C)CC(C)C
InChi:InChI=1S/C28H43IN4O8S/c1-16(2)10-20(8-9-42(7,40)41)30-27(36)23(12-18(5)6)32-28(37)22(11-17(3)4)31-25(34)15-19-13-21(29)26(35)24(14-19)33(38)39/h8-9,13-14,16-18,20,22-23,35H,10-12,15H2,1-7H3,(H,30,36)(H,31,34)(H,32,37)/t20-,22+,23+/m1/s1
定義日:2002-03-04
最終更新日:2024-09-27
識別子（ID）:N-[(4-hydroxy-3-iodo-5-nitrophenyl)acetyl]-L-leucyl-N-{(1S)-3-methyl-1-[(Z)-2-(methylsulfonyl)ethenyl]butyl}-L-leucinamide
R5P
R5P
表記:RIBOSE-5-PHOSPHATE
組成式:C5 H11 O8 P
SMILES:O=P(OCC(O)C(O)C(O)C=O)(O)O
InChi:InChI=1S/C5H11O8P/c6-1-3(7)5(9)4(8)2-13-14(10,11)12/h1,3-5,7-9H,2H2,(H2,10,11,12)/t3-,4+,5-/m0/s1
定義日:2001-06-19
最終更新日:2024-09-27
識別子（ID）:5-O-phosphono-D-ribose
WEU
WEU
表記:2-[(4-chlorophenyl)-methyl-amino]-~{N}'-ethanoyl-ethanehydrazide
組成式:C11 H14 Cl N3 O2
SMILES:CN(CC(=O)NNC(C)=O)c1ccc(Cl)cc1
InChi:InChI=1S/C11H14ClN3O2/c1-8(16)13-14-11(17)7-15(2)10-5-3-9(12)4-6-10/h3-6H,7H2,1-2H3,(H,13,16)(H,14,17)
定義日:2022-09-06
最終更新日:2024-09-27
公開日:2023-09-20
識別子（ID）:N'-acetyl-2-[(4-chlorophenyl)(methyl)amino]acetohydrazide (non-preferred name)
5T3
5T3
表記:N~6~-ethyl-N~6~-propan-2-yl-L-lysine
組成式:C11 H24 N2 O2
SMILES:NC(CCCCN(C(C)C)CC)C(=O)O
InChi:InChI=1S/C11H24N2O2/c1-4-13(9(2)3)8-6-5-7-10(12)11(14)15/h9-10H,4-8,12H2,1-3H3,(H,14,15)/t10-/m0/s1
定義日:2019-12-19
最終更新日:2024-09-27
公開日:2020-01-15
識別子（ID）:N~6~-ethyl-N~6~-propan-2-yl-L-lysine
WUK
WUK
表記:methyl 4-{2-[3-(2-{[(1R)-1-(naphthalen-1-yl)ethyl]carbamoyl}phenyl)propanoyl]hydrazinyl}-4-oxobutanoate
組成式:C27 H29 N3 O5
SMILES:O=C(OC)CCC(=O)NNC(=O)CCc1ccccc1C(=O)NC(C)c1cccc2ccccc21
InChi:InChI=1S/C27H29N3O5/c1-18(21-13-7-10-19-8-3-5-11-22(19)21)28-27(34)23-12-6-4-9-20(23)14-15-24(31)29-30-25(32)16-17-26(33)35-2/h3-13,18H,14-17H2,1-2H3,(H,28,34)(H,29,31)(H,30,32)/t18-/m1/s1
定義日:2022-10-19
最終更新日:2024-09-27
公開日:2023-04-05
識別子（ID）:methyl 4-{2-[3-(2-{[(1R)-1-(naphthalen-1-yl)ethyl]carbamoyl}phenyl)propanoyl]hydrazinyl}-4-oxobutanoate
PXU
PXU
表記:2-hydroxy-L-proline
組成式:C5 H9 N O3
SMILES:O=C(O)C1(O)NCCC1
InChi:InChI=1S/C5H9NO3/c7-4(8)5(9)2-1-3-6-5/h6,9H,1-3H2,(H,7,8)/t5-/m1/s1
定義日:2012-10-03
最終更新日:2024-09-27
公開日:2012-10-05
識別子（ID）:2-hydroxy-L-proline
PZN
PZN
表記:3-(2-{5-TERT-BUTYL-3-[(4-METHYL-FURAZAN-3-YLMETHYL)-AMINO]-2-OXO-2H-PYRAZIN-1-YL}-BUTYRYLAMINO)-5-(HEXYL-METHYL-AMINO)-4-OXO-PENTANOIC ACID ANION
組成式:C28 H44 N7 O6
SMILES:[O-]C(=O)CC(C(=O)CN(CCCCCC)C)NC(=O)C(N1C(=O)C(=NC(=C1)C(C)(C)C)NCc2nonc2C)CC
InChi:InChI=1S/C28H45N7O6/c1-8-10-11-12-13-34(7)16-22(36)19(14-24(37)38)30-26(39)21(9-2)35-17-23(28(4,5)6)31-25(27(35)40)29-15-20-18(3)32-41-33-20/h17,19,21H,8-16H2,1-7H3,(H,29,31)(H,30,39)(H,37,38)/p-1/t19-,21-/m0/s1
定義日:2003-11-19
最終更新日:2024-09-27
識別子（ID）:(3S)-3-({(2S)-2-[5-tert-butyl-3-{[(4-methyl-1,2,5-oxadiazol-3-yl)methyl]amino}-2-oxopyrazin-1(2H)-yl]butanoyl}amino)-5-[hexyl(methyl)amino]-4-oxopentanoate
V5N
V5N
表記:(2S,3S)-2-azanyl-3-(1H-imidazol-5-yl)-3-oxidanyl-propanoic acid
組成式:C6 H9 N3 O3
SMILES:N[CH]([CH](O)c1[nH]cnc1)C(O)=O
InChi:InChI=1S/C6H9N3O3/c7-4(6(11)12)5(10)3-1-8-2-9-3/h1-2,4-5,10H,7H2,(H,8,9)(H,11,12)/t4-,5+/m0/s1
定義日:2021-04-19
最終更新日:2024-09-27
公開日:2021-06-02
識別子（ID）:(2~{S},3~{S})-2-azanyl-3-(1~{H}-imidazol-5-yl)-3-oxidanyl-propanoic acid
SDO
SDO
表記:N~3~-{(2S)-4-[(dihydroxyphosphanyl)oxy]-2-hydroxy-3,3-dimethylbutanoyl}-N-{2-[(3,7-dioxooctyl)sulfanyl]ethyl}-beta-alaninamide
組成式:C19 H35 N2 O8 P S
SMILES:O=C(NCCSCCC(=O)CCCC(=O)C)CCNC(=O)C(O)C(C)(C)COP(O)O
InChi:InChI=1S/C19H35N2O8PS/c1-14(22)5-4-6-15(23)8-11-31-12-10-20-16(24)7-9-21-18(26)17(25)19(2,3)13-29-30(27)28/h17,25,27-28H,4-13H2,1-3H3,(H,20,24)(H,21,26)/t17-/m1/s1
定義日:2014-10-16
最終更新日:2024-09-27
公開日:2015-10-21
識別子（ID）:N~3~-{(2S)-4-[(dihydroxyphosphanyl)oxy]-2-hydroxy-3,3-dimethylbutanoyl}-N-{2-[(3,7-dioxooctyl)sulfanyl]ethyl}-beta-alaninamide
NVA
NVA
表記:NORVALINE
組成式:C5 H11 N O2
SMILES:O=C(O)C(N)CCC
InChi:InChI=1S/C5H11NO2/c1-2-3-4(6)5(7)8/h4H,2-3,6H2,1H3,(H,7,8)/t4-/m0/s1
定義日:1999-07-08
最終更新日:2024-09-27
識別子（ID）:L-norvaline

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