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SQG
SQG
表記:2-cyano-~{N}-[4-(trifluoromethyloxy)phenyl]ethanamide
組成式:C10 H7 F3 N2 O2
SMILES:FC(F)(F)Oc1ccc(NC(=O)CC#N)cc1
InChi:InChI=1S/C10H7F3N2O2/c11-10(12,13)17-8-3-1-7(2-4-8)15-9(16)5-6-14/h1-4H,5H2,(H,15,16)
定義日:2020-03-11
最終更新日:2020-07-17
公開日:2020-07-22
識別子（ID）:2-cyano-~{N}-[4-(trifluoromethyloxy)phenyl]ethanamide
SQP
SQP
表記:2-(4-aminophenyl)benzoic acid
組成式:C13 H11 N O2
SMILES:Nc1ccc(cc1)c2ccccc2C(O)=O
InChi:InChI=1S/C13H11NO2/c14-10-7-5-9(6-8-10)11-3-1-2-4-12(11)13(15)16/h1-8H,14H2,(H,15,16)
定義日:2020-03-11
最終更新日:2020-07-17
公開日:2020-07-22
識別子（ID）:2-(4-aminophenyl)benzoic acid
SQV
SQV
表記:methyl (2~{S})-2-(4-methoxypyridin-2-yl)propanoate
組成式:C10 H13 N O3
SMILES:COC(=O)[CH](C)c1cc(OC)ccn1
InChi:InChI=1S/C10H13NO3/c1-7(10(12)14-3)9-6-8(13-2)4-5-11-9/h4-7H,1-3H3/t7-/m0/s1
定義日:2020-03-11
最終更新日:2020-07-17
公開日:2020-07-22
識別子（ID）:methyl (2~{S})-2-(4-methoxypyridin-2-yl)propanoate
SR1
SR1
表記:5-S-methyl-5-thio-alpha-D-ribofuranose
組成式:C6 H12 O4 S
SMILES:OC1C(OC(O)C1O)CSC
InChi:InChI=1S/C6H12O4S/c1-11-2-3-4(7)5(8)6(9)10-3/h3-9H,2H2,1H3/t3-,4-,5-,6+/m1/s1
別名:5-S-methyl-5-thio-alpha-D-ribose
定義日:2005-03-31
最終更新日:2020-07-17
識別子（ID）:5-S-methyl-5-thio-alpha-D-ribofuranose
SR4
SR4
表記:2,3-dihydro-1-benzoxepine-5-carboxylic acid
組成式:C11 H10 O3
SMILES:OC(=O)C1=CCCOc2ccccc12
InChi:InChI=1S/C11H10O3/c12-11(13)9-5-3-7-14-10-6-2-1-4-8(9)10/h1-2,4-6H,3,7H2,(H,12,13)
定義日:2020-03-11
最終更新日:2020-07-17
公開日:2020-07-22
識別子（ID）:2,3-dihydro-1-benzoxepine-5-carboxylic acid
SRJ
SRJ
表記:(3~{S})-2-(cyclopropylmethyl)-3-[(~{S})-oxidanyl(phenyl)methyl]-2-azabicyclo[2.2.2]octan-4-ol
組成式:C18 H25 N O2
SMILES:O[CH]([CH]1N(CC2CC2)C3CCC1(O)CC3)c4ccccc4
InChi:InChI=1S/C18H25NO2/c20-16(14-4-2-1-3-5-14)17-18(21)10-8-15(9-11-18)19(17)12-13-6-7-13/h1-5,13,15-17,20-21H,6-12H2/t15-,16-,17-,18-/m0/s1
定義日:2020-03-11
最終更新日:2020-07-17
公開日:2020-07-22
識別子（ID）:(3~{S})-2-(cyclopropylmethyl)-3-[(~{S})-oxidanyl(phenyl)methyl]-2-azabicyclo[2.2.2]octan-4-ol
SSG
SSG
表記:1,4-dithio-beta-D-glucopyranose
組成式:C6 H12 O4 S2
SMILES:OC1C(S)C(OC(S)C1O)CO
InChi:InChI=1S/C6H12O4S2/c7-1-2-5(11)3(8)4(9)6(12)10-2/h2-9,11-12H,1H2/t2-,3-,4-,5-,6+/m1/s1
別名:1,4-DEOXY-1,4-DITHIO-BETA-D-GLUCOPYRANOSE
定義日:2000-07-13
最終更新日:2020-07-17
識別子（ID）:1,4-dithio-beta-D-glucopyranose
STV
STV
表記:~{N}-(1,3-benzodioxol-5-ylmethyl)ethanesulfonamide
組成式:C10 H13 N O4 S
SMILES:CC[S](=O)(=O)NCc1ccc2OCOc2c1
InChi:InChI=1S/C10H13NO4S/c1-2-16(12,13)11-6-8-3-4-9-10(5-8)15-7-14-9/h3-5,11H,2,6-7H2,1H3
定義日:2020-03-11
最終更新日:2020-07-17
公開日:2020-07-22
識別子（ID）:~{N}-(1,3-benzodioxol-5-ylmethyl)ethanesulfonamide
STW
STW
表記:Stachyose
組成式:C24 H42 O21
SMILES:OC[CH]1O[CH](OC[CH]2O[CH](OC[CH]3O[CH](O[C]4(CO)O[CH](CO)[CH](O)[CH]4O)[CH](O)[CH](O)[CH]3O)[CH](O)[CH](O)[CH]2O)[CH](O)[CH](O)[CH]1O
InChi:InChI=1S/C24H42O21/c25-1-6-10(28)14(32)17(35)21(41-6)39-3-8-11(29)15(33)18(36)22(42-8)40-4-9-12(30)16(34)19(37)23(43-9)45-24(5-27)20(38)13(31)7(2-26)44-24/h6-23,25-38H,1-5H2/t6-,7-,8-,9-,10+,11+,12-,13-,14+,15-,16+,17-,18+,19-,20-,21+,22+,23-,24+/m1/s1
定義日:2017-10-12
最終更新日:2020-07-17
公開日:2018-04-11
識別子（ID）:(2~{S},3~{R},4~{S},5~{R},6~{R})-2-[[(2~{R},3~{R},4~{R},5~{S},6~{S})-6-[[(2~{R},3~{S},4~{S},5~{R},6~{R})-6-[(2~{S},3~{R},4~{S},5~{R})-2,5-bis(hydroxymethyl)-3,4-bis(oxidanyl)oxolan-2-yl]oxy-3,4,5-tris(oxidanyl)oxan-2-yl]methoxy]-3,4,5-tris(oxidanyl)oxan-2-yl]methoxy]-6-(hydroxymethyl)oxane-3,4,5-triol
STZ
STZ
表記:Streptozotocin
組成式:C8 H15 N3 O7
SMILES:O=NN(C(=O)NC1C(O)C(O)C(OC1O)CO)C
InChi:InChI=1S/C8H15N3O7/c1-11(10-17)8(16)9-4-6(14)5(13)3(2-12)18-7(4)15/h3-7,12-15H,2H2,1H3,(H,9,16)/t3-,4-,5-,6-,7-/m1/s1
別名:2-deoxy-2-{[methyl(nitroso)carbamoyl]amino}-beta-D-glucopyranose
定義日:2008-12-02
最終更新日:2020-07-17
識別子（ID）:2-deoxy-2-{[methyl(nitroso)carbamoyl]amino}-beta-D-glucopyranose
OI7
OI7
表記:1,7-di-O-phosphono-beta-D-altro-hept-2-ulofuranose
組成式:C7 H16 O13 P2
SMILES:O=P(O)(O)OCC(O)C1OC(O)(COP(=O)(O)O)C(O)C1O
InChi:InChI=1S/C7H16O13P2/c8-3(1-18-21(12,13)14)5-4(9)6(10)7(11,20-5)2-19-22(15,16)17/h3-6,8-11H,1-2H2,(H2,12,13,14)(H2,15,16,17)/t3-,4-,5-,6+,7-/m1/s1
別名:1,7-di-O-phosphono-beta-D-altro-hept-2-ulose
定義日:2010-10-21
最終更新日:2020-07-17
識別子（ID）:1,7-di-O-phosphono-beta-D-altro-hept-2-ulofuranose
ONN
ONN
表記:2-[2-[[[(4~{R},8~{S},11~{S})-11-azanyl-8-[(4-hydroxyphenyl)methyl]-6,10-bis(oxidanylidene)-1,2-dithia-5,9-diazacyclotridec-4-yl]carbonylamino]methyl]phenyl]ethanoic acid
組成式:C26 H32 N4 O6 S2
SMILES:N[CH]1CCSSC[CH](NC(=O)C[CH](Cc2ccc(O)cc2)NC1=O)C(=O)NCc3ccccc3CC(O)=O
InChi:InChI=1S/C26H32N4O6S2/c27-21-9-10-37-38-15-22(26(36)28-14-18-4-2-1-3-17(18)12-24(33)34)30-23(32)13-19(29-25(21)35)11-16-5-7-20(31)8-6-16/h1-8,19,21-22,31H,9-15,27H2,(H,28,36)(H,29,35)(H,30,32)(H,33,34)/t19-,21-,22-/m0/s1
定義日:2020-03-21
最終更新日:2020-07-17
公開日:2020-07-22
識別子（ID）:2-[2-[[[(4~{R},8~{S},11~{S})-11-azanyl-8-[(4-hydroxyphenyl)methyl]-6,10-bis(oxidanylidene)-1,2-dithia-5,9-diazacyclotridec-4-yl]carbonylamino]methyl]phenyl]ethanoic acid
OPM
OPM
表記:pentyl alpha-D-mannopyranoside
組成式:C11 H22 O6
SMILES:O(CCCCC)C1OC(C(O)C(O)C1O)CO
InChi:InChI=1S/C11H22O6/c1-2-3-4-5-16-11-10(15)9(14)8(13)7(6-12)17-11/h7-15H,2-6H2,1H3/t7-,8-,9+,10+,11+/m1/s1
別名:O1-PENTYL-MANNOSE
定義日:2002-07-10
最終更新日:2020-07-17
識別子（ID）:pentyl alpha-D-mannopyranoside
RAE
RAE
表記:alpha-L-Olivopyranose
組成式:C6 H12 O4
SMILES:OC1C(OC(O)CC1O)C
InChi:InChI=1S/C6H12O4/c1-3-6(9)4(7)2-5(8)10-3/h3-9H,2H2,1H3/t3-,4-,5+,6-/m0/s1
別名:alpha-L-Olivose
定義日:2002-12-11
最終更新日:2020-07-17
識別子（ID）:2,6-dideoxy-alpha-L-arabino-hexopyranose
RAF
RAF
表記:raffinose
組成式:C18 H32 O16
SMILES:O2C(COC1OC(CO)C(O)C(O)C1O)C(O)C(O)C(O)C2OC3(OC(C(O)C3O)CO)CO
InChi:InChI=1S/C18H32O16/c19-1-5-8(22)11(25)13(27)16(31-5)30-3-7-9(23)12(26)14(28)17(32-7)34-18(4-21)15(29)10(24)6(2-20)33-18/h5-17,19-29H,1-4H2/t5-,6-,7-,8+,9-,10-,11+,12+,13-,14-,15+,16+,17-,18+/m1/s1
定義日:2008-01-28
最終更新日:2020-07-17
識別子（ID）:beta-D-fructofuranosyl alpha-D-galactopyranosyl-(1->6)-alpha-D-glucopyranoside
RAO
RAO
表記:methyl 6-deoxy-alpha-L-rhamnopyranoside
組成式:C7 H14 O5
SMILES:OC1C(O)C(O)C(OC1OC)C
InChi:InChI=1S/C7H14O5/c1-3-4(8)5(9)6(10)7(11-2)12-3/h3-10H,1-2H3/t3-,4-,5+,6+,7+/m0/s1
別名:1-O-METHYL-ALPHA-RHAMNOSE
定義日:2002-12-11
最終更新日:2020-07-17
識別子（ID）:methyl 6-deoxy-alpha-L-mannopyranoside
83Y
83Y
表記:3-O-sulfo-alpha-L-rhamnopyranose
組成式:C6 H12 O8 S
SMILES:C1(OC(C(C(C1O)OS(=O)(=O)O)O)C)O
InChi:InChI=1S/C6H12O8S/c1-2-3(7)5(14-15(10,11)12)4(8)6(9)13-2/h2-9H,1H3,(H,10,11,12)/t2-,3-,4+,5+,6+/m0/s1
別名:6-deoxy-3-O-sulfo-alpha-L-mannopyranose
定義日:2017-01-05
最終更新日:2020-07-17
公開日:2017-03-29
識別子（ID）:6-deoxy-3-O-sulfo-alpha-L-mannopyranose
RCD
RCD
表記:gamma-cyclodextrin
組成式:C48 H80 O40
SMILES:OC2C(O)C1OC9OC(CO)C(OC8OC(CO)C(OC7OC(CO)C(OC6OC(CO)C(OC5OC(C(OC4OC(CO)C(OC3OC(CO)C(OC2OC1CO)C(O)C3O)C(O)C4O)C(O)C5O)CO)C(O)C6O)C(O)C7O)C(O)C8O)C(O)C9O
InChi:InChI=1S/C48H80O40/c49-1-9-33-17(57)25(65)41(73-9)82-34-10(2-50)75-43(27(67)19(34)59)84-36-12(4-52)77-45(29(69)21(36)61)86-38-14(6-54)79-47(31(71)23(38)63)88-40-16(8-56)80-48(32(72)24(40)64)87-39-15(7-55)78-46(30(70)22(39)62)85-37-13(5-53)76-44(28(68)20(37)60)83-35-11(3-51)74-42(81-33)26(66)18(35)58/h9-72H,1-8H2/t9-,10-,11-,12-,13-,14-,15-,16-,17-,18-,19-,20-,21-,22-,23-,24-,25-,26-,27-,28-,29-,30-,31-,32-,33-,34-,35-,36-,37-,38-,39-,40-,41-,42-,43-,44-,45-,46-,47-,48-/m1/s1
別名:cyclo-octa-amylose
定義日:2011-02-11
最終更新日:2020-07-17
公開日:2015-12-16
識別子（ID）:(1S,3R,5R,6S,8R,10R,11S,13R,15R,16S,18R,20R,21S,23R,25R,26S,28R,30R,31S,33R,35R,36S,38R,40R,41R,42R,43R,44R,45R,46R,47R,48R,49R,50R,51R,52R,53R,54R,55R,56R)-5,10,15,20,25,30,35,40-octakis(hydroxymethyl)-2,4,7,9,12,14,17,19,22,24,27,29,32,34,37,39-hexadecaoxanonacyclo[36.2.2.2~3,6~.2~8,11~.2~13,16~.2~18,21~.2~23,26~.2~28,31~.2~33,36~]hexapentacontane-41,42,43,44,45,46,47,48,49,50,51,52,53,54,55,56-hexadecol (non-preferred name)
RF5
RF5
表記:2-deoxy-2-fluoro-5-O-phosphono-alpha-D-arabinofuranose
組成式:C5 H10 F O7 P
SMILES:FC1C(O)C(OC1O)COP(=O)(O)O
InChi:InChI=1S/C5H10FO7P/c6-3-4(7)2(13-5(3)8)1-12-14(9,10)11/h2-5,7-8H,1H2,(H2,9,10,11)/t2-,3+,4-,5+/m1/s1
別名:Inhibitor arabinosyl-2-fluoro-2-deoxynicotinamide mononucleotide, bound form
定義日:2008-07-30
最終更新日:2020-07-17
識別子（ID）:2-deoxy-2-fluoro-5-O-phosphono-alpha-D-arabinofuranose
RGG
RGG
表記:(2R)-2,3-dihydroxypropyl beta-D-galactopyranoside
組成式:C9 H18 O8
SMILES:O(CC(O)CO)C1OC(C(O)C(O)C1O)CO
InChi:InChI=1S/C9H18O8/c10-1-4(12)3-16-9-8(15)7(14)6(13)5(2-11)17-9/h4-15H,1-3H2/t4-,5-,6+,7+,8-,9-/m1/s1
別名:(2R)-glyceryl-beta-D-galactopyranoside
定義日:2009-02-19
最終更新日:2020-07-17
識別子（ID）:(2R)-2,3-dihydroxypropyl beta-D-galactopyranoside
RHA
RHA
表記:6-deoxy-1-O-phosphono-alpha-L-rhamnopyranose
組成式:C6 H13 O8 P
SMILES:O=P(OC1OC(C(O)C(O)C1O)C)(O)O
InChi:InChI=1S/C6H13O8P/c1-2-3(7)4(8)5(9)6(13-2)14-15(10,11)12/h2-9H,1H3,(H2,10,11,12)/t2-,3-,4+,5+,6-/m0/s1
別名:6-DEOXY-MANNOSE-1'-PHOSPHATE
定義日:1999-07-08
最終更新日:2020-07-17
識別子（ID）:6-deoxy-1-O-phosphono-alpha-L-mannopyranose
RHC
RHC
表記:(2S)-2-amino-4-[[(2S,3S,4R,5R)-3,4,5-trihydroxyoxolan-2-yl]methylsulfanyl]butanoic acid
組成式:C9 H17 N O6 S
SMILES:O=C(O)C(N)CCSCC1OC(O)C(O)C1O
InChi:InChI=1S/C9H17NO6S/c10-4(8(13)14)1-2-17-3-5-6(11)7(12)9(15)16-5/h4-7,9,11-12,15H,1-3,10H2,(H,13,14)/t4-,5+,6+,7+,9+/m0/s1
別名:5-(3-AMINO-4,4-DIHYROXY-BUTYLSULFANYLMETHYL)-TETRAHYDRO-FURAN-2,3,4-TRIOL
定義日:2001-09-10
最終更新日:2020-07-17
識別子（ID）:(2S)-2-amino-4-({[(2S,3S,4R,5R)-3,4,5-trihydroxytetrahydrofuran-2-yl]methyl}sulfanyl)butanoic acid (non-preferred name)
RI2
RI2
表記:1,5-di-O-phosphono-alpha-D-ribofuranose
組成式:C5 H12 O11 P2
SMILES:O=P(O)(O)OCC1OC(OP(=O)(O)O)C(O)C1O
InChi:InChI=1S/C5H12O11P2/c6-3-2(1-14-17(8,9)10)15-5(4(3)7)16-18(11,12)13/h2-7H,1H2,(H2,8,9,10)(H2,11,12,13)/t2-,3-,4-,5-/m1/s1
別名:1,5-di-O-phosphono-alpha-D-ribose
定義日:2011-01-07
最終更新日:2020-07-17
識別子（ID）:1,5-di-O-phosphono-alpha-D-ribofuranose
1S3
1S3
表記:(2R,3aR,5R,6S,7S,7aR)-5-(hydroxymethyl)tetrahydro-3aH-[1,3,2]dioxaphospholo[4,5-b]pyran-2,6,7-triol 2-oxide
組成式:C6 H11 O8 P
SMILES:O=P1(OC2C(O)C(O)C(OC2O1)CO)O
InChi:InChI=1S/C6H11O8P/c7-1-2-3(8)4(9)5-6(12-2)14-15(10,11)13-5/h2-9H,1H2,(H,10,11)/t2-,3-,4+,5-,6-/m1/s1
別名:Glucose1,2cyclic phosphate
定義日:2013-05-15
最終更新日:2020-07-17
公開日:2013-12-11
識別子（ID）:(2R,3aR,5R,6S,7S,7aR)-5-(hydroxymethyl)tetrahydro-3aH-[1,3,2]dioxaphospholo[4,5-b]pyran-2,6,7-triol 2-oxide
1S4
1S4
表記:alpha-muramic acid
組成式:C9 H17 N O7
SMILES:O=C(O)C(OC1C(O)C(OC(O)C1N)CO)C
InChi:InChI=1S/C9H17NO7/c1-3(8(13)14)16-7-5(10)9(15)17-4(2-11)6(7)12/h3-7,9,11-12,15H,2,10H2,1H3,(H,13,14)/t3-,4-,5-,6-,7-,9+/m1/s1
別名:muramic acid
定義日:2013-05-15
最終更新日:2020-07-17
公開日:2020-07-29
識別子（ID）:2-amino-3-O-[(1R)-1-carboxyethyl]-2-deoxy-alpha-D-glucopyranose

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