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RSH
RSH
表記:3-DEOXY-D-LYXO-HEXONIC ACID
組成式:C6 H12 O6
SMILES:O=C(O)C(O)CC(O)C(O)CO
InChi:InChI=1S/C6H12O6/c7-2-5(10)3(8)1-4(9)6(11)12/h3-5,7-10H,1-2H2,(H,11,12)/t3-,4+,5-/m1/s1
別名:D-2-KETO-3-DEOXYGALACTONATE
定義日:2004-07-19
最終更新日:2024-09-27
識別子（ID）:3-deoxy-D-lyxo-hexonic acid
LP6
LP6
表記:6-piperidin-1-yl-L-norleucine
組成式:C11 H22 N2 O2
SMILES:O=C(O)C(N)CCCCN1CCCCC1
InChi:InChI=1S/C11H22N2O2/c12-10(11(14)15)6-2-5-9-13-7-3-1-4-8-13/h10H,1-9,12H2,(H,14,15)/t10-/m0/s1
定義日:2009-01-06
最終更新日:2024-09-27
識別子（ID）:6-piperidin-1-yl-L-norleucine
UZV
UZV
表記:N-hydroxy-5-sulfanylpentanamide
組成式:C5 H11 N O2 S
SMILES:C(CCCCS)(NO)=O
InChi:InChI=1S/C5H11NO2S/c7-5(6-8)3-1-2-4-9/h8-9H,1-4H2,(H,6,7)
定義日:2020-06-09
最終更新日:2024-09-27
公開日:2020-09-23
識別子（ID）:N-hydroxy-5-sulfanylpentanamide
Z50
Z50
表記:3-{[(3-{[(2-aminoethyl)sulfanyl]methyl}-5-(4-methyl-1H-1,2,3-triazol-1-yl)phenyl)methyl]sulfanyl}propanoic acid
組成式:C16 H22 N4 O2 S2
SMILES:Cc1cn(nn1)c2cc(CSCCN)cc(CSCCC(O)=O)c2
InChi:InChI=1S/C16H22N4O2S2/c1-12-9-20(19-18-12)15-7-13(10-23-4-2-16(21)22)6-14(8-15)11-24-5-3-17/h6-9H,2-5,10-11,17H2,1H3,(H,21,22)
別名:3-[[3-(2-azanylethylsulfanylmethyl)-5-(4-methyl-1,2,3-triazol-1-yl)phenyl]methylsulfanyl]propanoic acid
定義日:2024-01-22
最終更新日:2024-09-27
公開日:2024-04-24
識別子（ID）:3-[[3-(2-azanylethylsulfanylmethyl)-5-(4-methyl-1,2,3-triazol-1-yl)phenyl]methylsulfanyl]propanoic acid
T0I
T0I
表記:(2S)-2-amino-3-(2,4-dihydroxy-5-imidazol-1-yl-phenyl)propanoic acid
組成式:C12 H13 N3 O4
SMILES:N[CH](Cc1cc(n2ccnc2)c(O)cc1O)C(O)=O
InChi:InChI=1S/C12H13N3O4/c13-8(12(18)19)3-7-4-9(11(17)5-10(7)16)15-2-1-14-6-15/h1-2,4-6,8,16-17H,3,13H2,(H,18,19)/t8-/m0/s1
定義日:2011-01-31
最終更新日:2024-09-27
識別子（ID）:(2S)-2-amino-3-(2,4-dihydroxy-5-imidazol-1-yl-phenyl)propanoic acid
PSA
PSA
表記:3-HYDROXY-4-AMINO-5-PHENYLPENTANOIC ACID
組成式:C11 H15 N O3
SMILES:O=C(O)CC(O)C(N)Cc1ccccc1
InChi:InChI=1S/C11H15NO3/c12-9(10(13)7-11(14)15)6-8-4-2-1-3-5-8/h1-5,9-10,13H,6-7,12H2,(H,14,15)/t9-,10-/m0/s1
定義日:1999-07-08
最終更新日:2024-09-27
識別子（ID）:4-amino-2,4,5-trideoxy-5-phenyl-L-threo-pentonic acid
Y9Z
Y9Z
表記:5'-O-[(S)-{[(S)-[2-(acetylamino)ethoxy](hydroxy)phosphoryl]oxy}(hydroxy)phosphoryl]guanosine
組成式:C14 H22 N6 O12 P2
SMILES:O=P(OCCNC(=O)C)(O)OP(=O)(O)OCC3OC(n2cnc1c2N=C(N)NC1=O)C(O)C3O
InChi:InChI=1S/C14H22N6O12P2/c1-6(21)16-2-3-29-33(25,26)32-34(27,28)30-4-7-9(22)10(23)13(31-7)20-5-17-8-11(20)18-14(15)19-12(8)24/h5,7,9-10,13,22-23H,2-4H2,1H3,(H,16,21)(H,25,26)(H,27,28)(H3,15,18,19,24)/t7-,9-,10-,13-/m1/s1
定義日:2013-12-27
最終更新日:2024-09-27
公開日:2014-06-04
識別子（ID）:5'-O-[(S)-{[(S)-[2-(acetylamino)ethoxy](hydroxy)phosphoryl]oxy}(hydroxy)phosphoryl]guanosine
NBQ
NBQ
表記:2-HYDROXY-5-({1-[(2-NAPHTHYLOXY)METHYL]-3-OXOPROP-1-ENYL}AMINO)TYROSINE
組成式:C23 H22 N2 O6
SMILES:O=C(O)C(N)Cc3c(O)cc(O)c(NC(=CC=O)COc2cc1ccccc1cc2)c3
InChi:InChI=1S/C23H22N2O6/c24-19(23(29)30)10-16-11-20(22(28)12-21(16)27)25-17(7-8-26)13-31-18-6-5-14-3-1-2-4-15(14)9-18/h1-9,11-12,19,25,27-28H,10,13,24H2,(H,29,30)/b17-7+/t19-/m0/s1
定義日:2004-03-08
最終更新日:2024-09-27
識別子（ID）:2-hydroxy-5-({(1E)-1-[(naphthalen-2-yloxy)methyl]-3-oxoprop-1-en-1-yl}amino)-L-tyrosine
UMA
UMA
表記:URIDINE-5'-DIPHOSPHATE-N-ACETYLMURAMOYL-L-ALANINE
組成式:C23 H36 N4 O20 P2
SMILES:O=P(OC1OC(C(O)C(OC(C(=O)NC(C(=O)O)C)C)C1NC(=O)C)CO)(O)OP(=O)(O)OCC3OC(N2C=CC(=O)NC2=O)C(O)C3O
InChi:InChI=1S/C23H36N4O20P2/c1-8(21(35)36)24-19(34)9(2)43-18-14(25-10(3)29)22(45-11(6-28)16(18)32)46-49(40,41)47-48(38,39)42-7-12-15(31)17(33)20(44-12)27-5-4-13(30)26-23(27)37/h4-5,8-9,11-12,14-18,20,22,28,31-33H,6-7H2,1-3H3,(H,24,34)(H,25,29)(H,35,36)(H,38,39)(H,40,41)(H,26,30,37)/t8-,9+,11+,12+,14+,15+,16+,17+,18+,20+,22+/m0/s1
定義日:1999-07-08
最終更新日:2024-09-27
識別子（ID）:(2S)-2-{[(2R)-2-{[(2R,3R,4R,5S,6R)-3-(acetylamino)-2-{[(R)-{[(R)-{[(2R,3S,4R,5R)-5-(2,4-dioxo-3,4-dihydropyrimidin-1(2H)-yl)-3,4-dihydroxytetrahydrofuran-2-yl]methoxy}(hydroxy)phosphoryl]oxy}(hydroxy)phosphoryl]oxy}-5-hydroxy-6-(hydroxymethyl)tetrahydro-2H-pyran-4-yl]oxy}propanoyl]amino}propanoic acid (non-preferred name)
1JM
1JM
表記:4-carboxy-N-methyl-D-phenylalanine
組成式:C11 H13 N O4
SMILES:O=C(O)C(NC)Cc1ccc(cc1)C(=O)O
InChi:InChI=1S/C11H13NO4/c1-12-9(11(15)16)6-7-2-4-8(5-3-7)10(13)14/h2-5,9,12H,6H2,1H3,(H,13,14)(H,15,16)/t9-/m1/s1
定義日:2013-02-15
最終更新日:2024-09-27
公開日:2013-11-06
識別子（ID）:4-carboxy-N-methyl-D-phenylalanine
XHZ
XHZ
表記:6-ethynyl-2-hydroxynaphthalene-1-carbaldehyde
組成式:C13 H8 O2
SMILES:C#Cc1cc2ccc(O)c(C=O)c2cc1
InChi:InChI=1S/C13H8O2/c1-2-9-3-5-11-10(7-9)4-6-13(15)12(11)8-14/h1,3-8,15H
定義日:2023-06-06
最終更新日:2024-09-27
公開日:2023-12-13
識別子（ID）:6-ethynyl-2-hydroxynaphthalene-1-carbaldehyde
R0B
R0B
表記:(2~{R})-2-[(2~{S},3~{R})-1,3-bis(oxidanyl)-1-oxidanylidene-butan-2-yl]-5-butyl-2,3-dihydro-1,3-thiazole-4-carboxylic acid
組成式:C12 H19 N O5 S
SMILES:CCCCC1=C(N[CH](S1)[CH]([CH](C)O)C(O)=O)C(O)=O
InChi:InChI=1S/C12H19NO5S/c1-3-4-5-7-9(12(17)18)13-10(19-7)8(6(2)14)11(15)16/h6,8,10,13-14H,3-5H2,1-2H3,(H,15,16)(H,17,18)/t6-,8-,10-/m1/s1
別名:hydrolyzed faropenem (ring-open form)
定義日:2020-08-24
最終更新日:2024-09-27
公開日:2021-02-24
識別子（ID）:(2~{R})-2-[(2~{S},3~{R})-1,3-bis(oxidanyl)-1-oxidanylidene-butan-2-yl]-5-butyl-2,3-dihydro-1,3-thiazole-4-carboxylic acid
UZY
UZY
表記:N-hydroxy-6-sulfanylhexanamide
組成式:C6 H13 N O2 S
SMILES:C(CCCCCS)(NO)=O
InChi:InChI=1S/C6H13NO2S/c8-6(7-9)4-2-1-3-5-10/h9-10H,1-5H2,(H,7,8)
定義日:2020-06-09
最終更新日:2024-09-27
公開日:2020-09-23
識別子（ID）:N-hydroxy-6-sulfanylhexanamide
5NH
5NH
表記:1,1-DIMETHYLETHYL [1-CYCLOHEXYL-2-[3-[[[1-[2-[[2-[[2-(DIMETHYLAMINO)-2-OXO-1-PHENYLETHYL]AMINO]-2-OXOETHYL]AMINO]-1,2-DIOXOETHYL]PENTYL]AMINO]CARBONYL]-2-AZABICYCLO[2.2.1]HEPTAN-2-YL]-2-OXOETHYL]CARBAMATE
組成式:C39 H58 N6 O8
SMILES:O=C(N2C(C(=O)NC(C(=O)C(=O)NCC(=O)NC(c1ccccc1)C(=O)N(C)C)CCCC)C3CC2CC3)C(NC(=O)OC(C)(C)C)C4CCCCC4
InChi:InChI=1S/C39H58N6O8/c1-7-8-19-28(33(47)35(49)40-23-29(46)42-30(36(50)44(5)6)24-15-11-9-12-16-24)41-34(48)32-26-20-21-27(22-26)45(32)37(51)31(25-17-13-10-14-18-25)43-38(52)53-39(2,3)4/h9,11-12,15-16,25-28,30-32H,7-8,10,13-14,17-23H2,1-6H3,(H,40,49)(H,41,48)(H,42,46)(H,43,52)/t26-,27+,28-,30-,31-,32-/m0/s1
定義日:2005-12-23
最終更新日:2024-09-27
識別子（ID）:tert-butyl {(1S)-1-cyclohexyl-2-[(1R,3S,4S)-3-{[(1S)-1-{[(2-{[(1S)-2-(dimethylamino)-2-oxo-1-phenylethyl]amino}-2-oxoethyl)amino](oxo)acetyl}pentyl]carbamoyl}-2-azabicyclo[2.2.1]hept-2-yl]-2-oxoethyl}carbamate
UMC
UMC
表記:2'-deoxy-5'-uridylic acid
組成式:C9 H15 N2 O8 P
SMILES:O=P(O)(O)OCC2OC(N1C(=O)NC(=O)CC1)CC2O
InChi:InChI=1S/C9H15N2O8P/c12-5-3-8(11-2-1-7(13)10-9(11)14)19-6(5)4-18-20(15,16)17/h5-6,8,12H,1-4H2,(H,10,13,14)(H2,15,16,17)/t5-,6+,8+/m0/s1
定義日:2012-08-03
最終更新日:2024-09-27
公開日:2012-08-24
識別子（ID）:2'-deoxy-5'-uridylic acid
LPA
LPA
表記:LIPOIC ACID
組成式:C8 H14 O2 S2
SMILES:O=C(O)CCCCC1SSCC1
InChi:InChI=1S/C8H14O2S2/c9-8(10)4-2-1-3-7-5-6-11-12-7/h7H,1-6H2,(H,9,10)/t7-/m1/s1
別名:5-[(3R)-1,2-dithiolan-3-yl]pentanoic acid
定義日:1999-07-08
最終更新日:2024-09-27
識別子（ID）:5-[(3R)-1,2-dithiolan-3-yl]pentanoic acid
YA4
YA4
表記:[(2~{R},3~{S},4~{S})-3,4-bis(oxidanyl)oxolan-2-yl]methoxy-sulfanyl-phosphinic acid
組成式:C5 H11 O6 P S
SMILES:O[CH]1CO[CH](CO[P](O)(S)=O)[CH]1O
InChi:InChI=1S/C5H11O6PS/c6-3-1-10-4(5(3)7)2-11-12(8,9)13/h3-7H,1-2H2,(H2,8,9,13)/t3-,4+,5-/m0/s1
定義日:2021-02-12
最終更新日:2024-09-27
公開日:2021-08-04
識別子（ID）:[(2~{R},3~{S},4~{S})-3,4-bis(oxidanyl)oxolan-2-yl]methoxy-sulfanyl-phosphinic acid
LPB
LPB
表記:5-[(3S)-1,2-dithiolan-3-yl]pentanoic acid
組成式:C8 H14 O2 S2
SMILES:O=C(O)CCCCC1SSCC1
InChi:InChI=1S/C8H14O2S2/c9-8(10)4-2-1-3-7-5-6-11-12-7/h7H,1-6H2,(H,9,10)/t7-/m0/s1
定義日:2011-09-08
最終更新日:2024-09-27
識別子（ID）:5-[(3S)-1,2-dithiolan-3-yl]pentanoic acid
VU1
VU1
表記:4-[(piperidin-1-yl)methyl]benzoic acid
組成式:C13 H17 N O2
SMILES:C2CCCN(Cc1ccc(C(O)=O)cc1)C2
InChi:InChI=1S/C13H17NO2/c15-13(16)12-6-4-11(5-7-12)10-14-8-2-1-3-9-14/h4-7H,1-3,8-10H2,(H,15,16)
定義日:2020-09-14
最終更新日:2024-09-27
公開日:2021-10-06
識別子（ID）:4-[(piperidin-1-yl)methyl]benzoic acid
YA5
YA5
表記:(8M)-8-{2-[(fluorosulfonyl)oxy]phenyl}-4-oxo-1,4-dihydroquinoline-3-carboxylic acid
組成式:C16 H10 F N O6 S
SMILES:FS(=O)(=O)Oc1ccccc1c1cccc2c1NC=C(C2=O)C(=O)O
InChi:InChI=1S/C16H10FNO6S/c17-25(22,23)24-13-7-2-1-4-9(13)10-5-3-6-11-14(10)18-8-12(15(11)19)16(20)21/h1-8H,(H,18,19)(H,20,21)
定義日:2023-11-28
最終更新日:2024-09-27
公開日:2024-09-25
識別子（ID）:(8M)-8-{2-[(fluorosulfonyl)oxy]phenyl}-4-oxo-1,4-dihydroquinoline-3-carboxylic acid
R0E
R0E
表記:ProM-17
組成式:C14 H22 N2 O3
SMILES:CC(C)C[CH]1C=C[CH]2CCN[CH]2C(=O)N1CC(O)=O
InChi:InChI=1S/C14H22N2O3/c1-9(2)7-11-4-3-10-5-6-15-13(10)14(19)16(11)8-12(17)18/h3-4,9-11,13,15H,5-8H2,1-2H3,(H,17,18)/t10-,11-,13-/m0/s1
別名:2-[(3~{a}~{R},6~{R},8~{a}~{S})-6-(2-methylpropyl)-8-oxidanylidene-1,2,3,3~{a},6,8~{a}-hexahydropyrrolo[2,3-c]azepin-7-yl]ethanoic acid
定義日:2020-08-25
最終更新日:2024-09-27
公開日:2020-10-07
識別子（ID）:2-[(3~{a}~{R},6~{R},8~{a}~{S})-6-(2-methylpropyl)-8-oxidanylidene-1,2,3,3~{a},6,8~{a}-hexahydropyrrolo[2,3-c]azepin-7-yl]ethanoic acid
NBU
NBU
表記:N-BUTANE
組成式:C4 H10
SMILES:CCCC
InChi:InChI=1S/C4H10/c1-3-4-2/h3-4H2,1-2H3
定義日:1999-10-10
最終更新日:2024-09-27
識別子（ID）:butane
XX0
XX0
表記:2-chloro-N-{4-chloro-3-[(morpholin-4-yl)sulfonyl]phenyl}acetamide
組成式:C12 H14 Cl2 N2 O4 S
SMILES:C(C(=O)Nc1ccc(Cl)c(c1)S(=O)(=O)N2CCOCC2)Cl
InChi:InChI=1S/C12H14Cl2N2O4S/c13-8-12(17)15-9-1-2-10(14)11(7-9)21(18,19)16-3-5-20-6-4-16/h1-2,7H,3-6,8H2,(H,15,17)
定義日:2019-07-03
最終更新日:2024-09-27
公開日:2019-07-24
識別子（ID）:2-chloro-N-{4-chloro-3-[(morpholin-4-yl)sulfonyl]phenyl}acetamide
LPD
LPD
表記:L-PROLINAMIDE
組成式:C5 H10 N2 O
SMILES:O=C(N)C1NCCC1
InChi:InChI=1S/C5H10N2O/c6-5(8)4-2-1-3-7-4/h4,7H,1-3H2,(H2,6,8)/t4-/m0/s1
定義日:2006-08-24
最終更新日:2024-09-27
識別子（ID）:L-prolinamide
PSH
PSH
表記:1-thiophosphono-L-histidine
組成式:C6 H10 N3 O4 P S
SMILES:O=C(O)C(N)Cc1ncn(c1)P(=O)(S)O
InChi:InChI=1S/C6H10N3O4PS/c7-5(6(10)11)1-4-2-9(3-8-4)14(12,13)15/h2-3,5H,1,7H2,(H,10,11)(H2,12,13,15)/t5-/m0/s1
定義日:2007-09-28
最終更新日:2024-09-27
識別子（ID）:1-thiophosphono-L-histidine

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