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M5X
M5X
表記:(3S)-3-hydroxy-2-oxo-2,3-dihydro-1H-indole-5-sulfonamide
組成式:C8 H8 N2 O4 S
SMILES:NS(=O)(=O)c1cc2c(cc1)NC(=O)C2O
InChi:InChI=1S/C8H8N2O4S/c9-15(13,14)4-1-2-6-5(3-4)7(11)8(12)10-6/h1-3,7,11H,(H,10,12)(H2,9,13,14)/t7-/m0/s1
定義日:2023-08-15
最終更新日:2024-09-27
公開日:2023-11-08
識別子（ID）:(3S)-3-hydroxy-2-oxo-2,3-dihydro-1H-indole-5-sulfonamide
UBB
UBB
表記:2',3'-DIDEOXY-URIDINE-5'-MONOPHOSPHATE
組成式:C9 H13 N2 O7 P
SMILES:O=C1NC(=O)N(C=C1)C2OC(CC2)COP(=O)(O)O
InChi:InChI=1S/C9H13N2O7P/c12-7-3-4-11(9(13)10-7)8-2-1-6(18-8)5-17-19(14,15)16/h3-4,6,8H,1-2,5H2,(H,10,12,13)(H2,14,15,16)/t6-,8+/m0/s1
定義日:2003-02-13
最終更新日:2024-09-27
識別子（ID）:[(2S,5R)-5-(2,4-dioxo-3,4-dihydropyrimidin-1(2H)-yl)tetrahydrofuran-2-yl]methyl dihydrogen phosphate
MYN
MYN
表記:(2S)-amino[(4R)-2-amino-1,4,5,6-tetrahydropyrimidin-4-yl]ethanoic acid
組成式:C6 H12 N4 O2
SMILES:N[CH]([CH]1CCNC(=N1)N)C(O)=O
InChi:InChI=1S/C6H12N4O2/c7-4(5(11)12)3-1-2-9-6(8)10-3/h3-4H,1-2,7H2,(H,11,12)(H3,8,9,10)/t3-,4+/m1/s1
定義日:2010-02-12
最終更新日:2024-09-27
識別子（ID）:(2S)-2-azanyl-2-[(4R)-2-azanyl-1,4,5,6-tetrahydropyrimidin-4-yl]ethanoic acid
P1T
P1T
表記:2-[({3-HYDROXY-2-METHYL-5-[(PHOSPHONOOXY)METHYL]PYRIDIN-4-YL}METHYL)AMINO]ACRYLIC ACID
組成式:C11 H15 N2 O7 P
SMILES:O=P(O)(O)OCc1cnc(c(O)c1CNC(=C)/C(=O)O)C
InChi:InChI=1S/C11H15N2O7P/c1-6-10(14)9(4-13-7(2)11(15)16)8(3-12-6)5-20-21(17,18)19/h3,13-14H,2,4-5H2,1H3,(H,15,16)(H2,17,18,19)
定義日:2006-09-05
最終更新日:2024-09-27
識別子（ID）:2-[({3-hydroxy-2-methyl-5-[(phosphonooxy)methyl]pyridin-4-yl}methyl)amino]prop-2-enoic acid
QO5
QO5
表記:3,5-dimethylcatechol cysteine
組成式:C11 H15 N O4 S
SMILES:Cc1cc(C)c(SC[CH](N)C(O)=O)c(O)c1O
InChi:InChI=1S/C11H15NO4S/c1-5-3-6(2)10(9(14)8(5)13)17-4-7(12)11(15)16/h3,7,13-14H,4,12H2,1-2H3,(H,15,16)/t7-/m0/s1
定義日:2020-07-08
最終更新日:2024-09-27
公開日:2020-12-23
識別子（ID）:(2~{R})-2-azanyl-3-[4,6-dimethyl-2,3-bis(oxidanyl)phenyl]sulfanyl-propanoic acid
OLT
OLT
表記:O-METHYL-L-THREONINE
組成式:C5 H11 N O3
SMILES:O=C(O)C(N)C(OC)C
InChi:InChI=1S/C5H11NO3/c1-3(9-2)4(6)5(7)8/h3-4H,6H2,1-2H3,(H,7,8)/t3-,4+/m1/s1
定義日:2005-09-02
最終更新日:2024-09-27
識別子（ID）:O-methyl-L-threonine
TWQ
TWQ
表記:3-[(3~{S})-3-methoxypiperidin-1-yl]-4-nitro-benzaldehyde
組成式:C13 H16 N2 O4
SMILES:CO[CH]1CCCN(C1)c2cc(C=O)ccc2[N](=O)=O
InChi:InChI=1S/C13H16N2O4/c1-19-11-3-2-6-14(8-11)13-7-10(9-16)4-5-12(13)15(17)18/h4-5,7,9,11H,2-3,6,8H2,1H3/t11-/m0/s1
定義日:2021-01-14
最終更新日:2024-09-27
公開日:2021-06-09
識別子（ID）:3-[(3~{S})-3-methoxypiperidin-1-yl]-4-nitro-benzaldehyde
P1V
P1V
表記:(2~{S})-2-azanyl-6-(5-methyl-1~{H}-1,2,4-triazol-3-yl)hexanoic acid
組成式:C9 H16 N4 O2
SMILES:Cc1[nH]nc(CCCC[CH](N)C(O)=O)n1
InChi:InChI=1S/C9H16N4O2/c1-6-11-8(13-12-6)5-3-2-4-7(10)9(14)15/h7H,2-5,10H2,1H3,(H,14,15)(H,11,12,13)/t7-/m0/s1
定義日:2022-09-29
最終更新日:2024-09-27
公開日:2023-01-11
識別子（ID）:(2~{S})-2-azanyl-6-(5-methyl-1~{H}-1,2,4-triazol-3-yl)hexanoic acid
PFF
PFF
表記:4-FLUORO-L-PHENYLALANINE
組成式:C9 H10 F N O2
SMILES:Fc1ccc(cc1)CC(C(=O)O)N
InChi:InChI=1S/C9H10FNO2/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:2003-07-30
最終更新日:2024-09-27
識別子（ID）:4-fluoro-L-phenylalanine
LCE
LCE
表記:(1S,3S,4S,5S)-7,7-dichloro-3-methoxy-2-thiabicyclo[3.2.0]heptan-6-one-4-carboxylic acid
組成式:C8 H8 Cl2 O4 S
SMILES:O=C(O)C1C2C(=O)C(Cl)(Cl)C2SC1OC
InChi:InChI=1S/C8H8Cl2O4S/c1-14-7-3(6(12)13)2-4(11)8(9,10)5(2)15-7/h2-3,5,7H,1H3,(H,12,13)/t2-,3-,5-,7-/m0/s1
別名:(1S,3S,4S,5S)-7,7-dichloro-3-methoxy-6-oxo-2-thiabicyclo[3.2.0]heptane-4-carboxylic acid
定義日:2010-02-15
最終更新日:2024-09-27
識別子（ID）:(1S,3S,4S,5S)-7,7-dichloro-3-methoxy-6-oxo-2-thiabicyclo[3.2.0]heptane-4-carboxylic acid
QO8
QO8
表記:3,4-dimethylcatechol cysteine
組成式:C11 H17 N O4 S
SMILES:Cc1cc(SC[CH](N)C(O)O)c(O)c(O)c1C
InChi:InChI=1S/C11H17NO4S/c1-5-3-8(10(14)9(13)6(5)2)17-4-7(12)11(15)16/h3,7,11,13-16H,4,12H2,1-2H3/t7-/m0/s1
定義日:2020-07-08
最終更新日:2024-09-27
公開日:2020-12-23
識別子（ID）:6-[(2~{R})-2-azanyl-3,3-bis(oxidanyl)propyl]sulfanyl-3,4-dimethyl-benzene-1,2-diol
TH5
TH5
表記:O-acetyl-L-threonine
組成式:C6 H11 N O4
SMILES:O=C(OC(C(N)C(=O)O)C)C
InChi:InChI=1S/C6H11NO4/c1-3(11-4(2)8)5(7)6(9)10/h3,5H,7H2,1-2H3,(H,9,10)/t3-,5+/m1/s1
定義日:2008-08-01
最終更新日:2024-09-27
識別子（ID）:O-acetyl-L-threonine
TH6
TH6
表記:4-HYDROXY-L-THREONINE
組成式:C4 H9 N O4
SMILES:O=C(O)C(N)C(O)CO
InChi:InChI=1S/C4H9NO4/c5-3(4(8)9)2(7)1-6/h2-3,6-7H,1,5H2,(H,8,9)/t2-,3+/m1/s1
定義日:2009-10-22
最終更新日:2024-09-27
識別子（ID）:4-hydroxy-L-threonine
8UI
8UI
表記:N-[(2S)-1-({(2S)-1-hydroxy-3-[(3S)-2-oxopyrrolidin-3-yl]propan-2-yl}amino)-4,4-dimethyl-1-oxopentan-2-yl]-4-methoxy-1H-indole-2-carboxamide
組成式:C24 H34 N4 O5
SMILES:COc1cccc2[NH]c(cc12)C(=O)NC(CC(C)(C)C)C(=O)NC(CC1CCNC1=O)CO
InChi:InChI=1S/C24H34N4O5/c1-24(2,3)12-19(23(32)26-15(13-29)10-14-8-9-25-21(14)30)28-22(31)18-11-16-17(27-18)6-5-7-20(16)33-4/h5-7,11,14-15,19,27,29H,8-10,12-13H2,1-4H3,(H,25,30)(H,26,32)(H,28,31)/t14-,15-,19-/m0/s1
定義日:2021-09-30
最終更新日:2024-09-27
公開日:2022-11-09
識別子（ID）:N-[(2S)-1-({(2S)-1-hydroxy-3-[(3S)-2-oxopyrrolidin-3-yl]propan-2-yl}amino)-4,4-dimethyl-1-oxopentan-2-yl]-4-methoxy-1H-indole-2-carboxamide
OLX
OLX
表記:[(3R)-5-ethyl-3-hydroxy-2-oxo-2,3-dihydro-1H-indol-1-yl]acetic acid
組成式:C12 H13 N O4
SMILES:O=C(O)CN1c2ccc(cc2C(O)C1=O)CC
InChi:InChI=1S/C12H13NO4/c1-2-7-3-4-9-8(5-7)11(16)12(17)13(9)6-10(14)15/h3-5,11,16H,2,6H2,1H3,(H,14,15)/t11-/m1/s1
定義日:2023-08-17
最終更新日:2024-09-27
公開日:2023-11-08
識別子（ID）:[(3R)-5-ethyl-3-hydroxy-2-oxo-2,3-dihydro-1H-indol-1-yl]acetic acid
SO0
SO0
表記:(1S,3aR,6aS)-2-[(2,4-dichlorophenoxy)acetyl]-N-{(2S)-1-hydroxy-3-[(3S)-2-oxopyrrolidin-3-yl]propan-2-yl}octahydrocyclopenta[c]pyrrole-1-carboxamide
組成式:C23 H29 Cl2 N3 O5
SMILES:O=C1NCCC1CC(CO)NC(=O)C1C2CCCC2CN1C(=O)COc1ccc(Cl)cc1Cl
InChi:InChI=1S/C23H29Cl2N3O5/c24-15-4-5-19(18(25)9-15)33-12-20(30)28-10-14-2-1-3-17(14)21(28)23(32)27-16(11-29)8-13-6-7-26-22(13)31/h4-5,9,13-14,16-17,21,29H,1-3,6-8,10-12H2,(H,26,31)(H,27,32)/t13-,14-,16-,17-,21-/m0/s1
定義日:2023-08-28
最終更新日:2024-09-27
公開日:2024-08-28
識別子（ID）:(1S,3aR,6aS)-2-[(2,4-dichlorophenoxy)acetyl]-N-{(2S)-1-hydroxy-3-[(3S)-2-oxopyrrolidin-3-yl]propan-2-yl}octahydrocyclopenta[c]pyrrole-1-carboxamide
QOB
QOB
表記:~{N}-[(2~{S},3~{R})-1-[[(5~{S},8~{S},10~{S})-5-methyl-10-oxidanyl-2,7-bis(oxidanylidene)-1,6-diazacyclododec-8-yl]amino]-3-oxidanyl-1-oxidanylidene-butan-2-yl]-5-phenyl-pentanamide
組成式:C26 H40 N4 O6
SMILES:C[CH](O)[CH](NC(=O)CCCCc1ccccc1)C(=O)N[CH]2C[CH](O)CCNC(=O)CC[CH](C)NC2=O
InChi:InChI=1S/C26H40N4O6/c1-17-12-13-22(33)27-15-14-20(32)16-21(25(35)28-17)29-26(36)24(18(2)31)30-23(34)11-7-6-10-19-8-4-3-5-9-19/h3-5,8-9,17-18,20-21,24,31-32H,6-7,10-16H2,1-2H3,(H,27,33)(H,28,35)(H,29,36)(H,30,34)/t17-,18+,20-,21-,24-/m0/s1
別名:Syrbactin inhibitor
定義日:2020-07-09
最終更新日:2024-09-27
公開日:2021-05-19
識別子（ID）:~{N}-[(2~{S},3~{R})-1-[[(5~{S},8~{S},10~{S})-5-methyl-10-oxidanyl-2,7-bis(oxidanylidene)-1,6-diazacyclododec-8-yl]amino]-3-oxidanyl-1-oxidanylidene-butan-2-yl]-5-phenyl-pentanamide
M66
M66
表記:(1R,2S,5S)-3-{(2S)-2-(2,3-dihydro-1H-inden-2-yl)-2-[({(1S)-2,2-dimethyl-1-[(2-oxopiperidin-1-yl)methyl]propyl}carbamoyl)amino]acetyl}-6,6-dimethyl-N-{(1S)-1-[oxo(prop-2-en-1-ylamino)acetyl]butyl}-3-azabicyclo[3.1.0]hexane-2-carboxamide
組成式:C40 H58 N6 O6
SMILES:CCC[CH](NC(=O)[CH]1[CH]2[CH](CN1C(=O)[CH](NC(=O)N[CH](CN3CCCCC3=O)C(C)(C)C)C4Cc5ccccc5C4)C2(C)C)C(=O)C(=O)NCC=C
InChi:InChI=1S/C40H58N6O6/c1-8-14-28(34(48)36(50)41-18-9-2)42-35(49)33-31-27(40(31,6)7)22-46(33)37(51)32(26-20-24-15-10-11-16-25(24)21-26)44-38(52)43-29(39(3,4)5)23-45-19-13-12-17-30(45)47/h9-11,15-16,26-29,31-33H,2,8,12-14,17-23H2,1,3-7H3,(H,41,50)(H,42,49)(H2,43,44,52)/t27-,28-,29+,31-,32-,33-/m0/s1
定義日:2010-01-04
最終更新日:2024-09-27
識別子（ID）:(1R,2S,5S)-3-[(2S)-2-(2,3-dihydro-1H-inden-2-yl)-2-[[(2S)-3,3-dimethyl-1-(2-oxopiperidin-1-yl)butan-2-yl]carbamoylamino]ethanoyl]-N-[(3S)-1,2-dioxo-1-(prop-2-enylamino)hexan-3-yl]-6,6-dimethyl-3-azabicyclo[3.1.0]hexane-2-carboxamide
SO2
SO2
表記:SULFUR DIOXIDE
組成式:O2 S
SMILES:O=S=O
InChi:InChI=1S/O2S/c1-3-2
定義日:1999-07-08
最終更新日:2024-09-27
識別子（ID）:oxosulfane oxide
OM0
OM0
表記:(1R,2S,3R,4R)-5-bromo-6-(hydroxymethyl)cyclohex-5-ene-1,2,3,4-tetrol
組成式:C7 H11 Br O5
SMILES:OC1C(CO)=C(Br)C(O)C(O)C1O
InChi:InChI=1S/C7H11BrO5/c8-3-2(1-9)4(10)6(12)7(13)5(3)11/h4-7,9-13H,1H2/t4-,5+,6+,7+/m1/s1
別名:C5a-bromo-valienide
定義日:2022-05-12
最終更新日:2024-09-27
公開日:2023-04-05
識別子（ID）:(1R,2S,3R,4R)-5-bromo-6-(hydroxymethyl)cyclohex-5-ene-1,2,3,4-tetrol
SO3
SO3
表記:SULFITE ION
組成式:O3 S
SMILES:[O-]S([O-])=O
InChi:InChI=1S/H2O3S/c1-4(2)3/h(H2,1,2,3)/p-2
定義日:1999-07-08
最終更新日:2024-09-27
識別子（ID）:sulfite
LCK
LCK
表記:(Z)-N~6~-(2-carboxy-1-methylethylidene)-L-lysine
組成式:C10 H18 N2 O4
SMILES:O=C(O)CC(=N/CCCCC(N)C(=O)O)C
InChi:InChI=1S/C10H18N2O4/c1-7(6-9(13)14)12-5-3-2-4-8(11)10(15)16/h8H,2-6,11H2,1H3,(H,13,14)(H,15,16)/b12-7-/t8-/m0/s1
定義日:2008-02-15
最終更新日:2024-09-27
識別子（ID）:(Z)-N~6~-(2-carboxy-1-methylethylidene)-L-lysine
QOE
QOE
表記:(2~{S},3~{R})-~{N}-[(5~{S},8~{S},10~{S})-5-methyl-10-oxidanyl-2,7-bis(oxidanylidene)-1,6-diazacyclododec-8-yl]-3-oxidanyl-2-(3-phenylpropanoylamino)butanamide
組成式:C24 H36 N4 O6
SMILES:C[CH](O)[CH](NC(=O)CCc1ccccc1)C(=O)N[CH]2C[CH](O)CCNC(=O)CC[CH](C)NC2=O
InChi:InChI=1S/C24H36N4O6/c1-15-8-10-20(31)25-13-12-18(30)14-19(23(33)26-15)27-24(34)22(16(2)29)28-21(32)11-9-17-6-4-3-5-7-17/h3-7,15-16,18-19,22,29-30H,8-14H2,1-2H3,(H,25,31)(H,26,33)(H,27,34)(H,28,32)/t15-,16+,18-,19-,22-/m0/s1
別名:HB335
定義日:2020-07-09
最終更新日:2024-09-27
公開日:2021-05-19
識別子（ID）:(2~{S},3~{R})-~{N}-[(5~{S},8~{S},10~{S})-5-methyl-10-oxidanyl-2,7-bis(oxidanylidene)-1,6-diazacyclododec-8-yl]-3-oxidanyl-2-(3-phenylpropanoylamino)butanamide
P23
P23
表記:PROPYL TRIHYDROGEN DIPHOSPHATE
組成式:C3 H10 O7 P2
SMILES:O=P(O)(OP(=O)(OCCC)O)O
InChi:InChI=1S/C3H10O7P2/c1-2-3-9-12(7,8)10-11(4,5)6/h2-3H2,1H3,(H,7,8)(H2,4,5,6)
定義日:2004-07-01
最終更新日:2024-09-27
識別子（ID）:propyl trihydrogen diphosphate
THC
THC
表記:N-METHYLCARBONYLTHREONINE
組成式:C6 H11 N O4
SMILES:O=C(O)C(NC(=O)C)C(O)C
InChi:InChI=1S/C6H11NO4/c1-3(8)5(6(10)11)7-4(2)9/h3,5,8H,1-2H3,(H,7,9)(H,10,11)/t3-,5+/m1/s1
定義日:1999-07-08
最終更新日:2024-09-27
識別子（ID）:N-acetyl-L-threonine

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