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SHD
SHD
表記:alpha-D-altropyranose
組成式:C6 H12 O6
SMILES:OC1C(O)C(OC(O)C1O)CO
InChi:InChI=1S/C6H12O6/c7-1-2-3(8)4(9)5(10)6(11)12-2/h2-11H,1H2/t2-,3-,4-,5+,6+/m1/s1
別名:alpha-D-altrose
定義日:2009-01-17
最終更新日:2020-07-17
識別子（ID）:alpha-D-altropyranose
SID
SID
表記:methyl 9-S-acetyl-5-acetamido-3,5-dideoxy-9-thio-D-glycero-alpha-D-galacto-non-2-ulopyranosidonic acid
組成式:C14 H23 N O9 S
SMILES:O=C(SCC(O)C(O)C1OC(OC)(C(=O)O)CC(O)C1NC(=O)C)C
InChi:InChI=1S/C14H23NO9S/c1-6(16)15-10-8(18)4-14(23-3,13(21)22)24-12(10)11(20)9(19)5-25-7(2)17/h8-12,18-20H,4-5H2,1-3H3,(H,15,16)(H,21,22)/t8-,9+,10+,11+,12+,14+/m0/s1
別名:methyl 9-S-acetyl-5-(acetylamino)-3,5-dideoxy-9-thio-D-glycero-alpha-D-galacto-non-2-ulopyranosidonic acid
定義日:2009-07-24
最終更新日:2020-07-17
識別子（ID）:methyl 9-S-acetyl-5-(acetylamino)-3,5-dideoxy-9-thio-D-glycero-alpha-D-galacto-non-2-ulopyranosidonic acid
SIO
SIO
表記:methyl 4,9-di-O-acetyl-5-acetamido-3,5-dideoxy-D-glycero-alpha-D-galacto-non-2-ulopyranosidonic acid
組成式:C16 H25 N O11
SMILES:O=C(OCC(O)C(O)C1OC(OC)(C(=O)O)CC(OC(=O)C)C1NC(=O)C)C
InChi:InChI=1S/C16H25NO11/c1-7(18)17-12-11(27-9(3)20)5-16(25-4,15(23)24)28-14(12)13(22)10(21)6-26-8(2)19/h10-14,21-22H,5-6H2,1-4H3,(H,17,18)(H,23,24)/t10-,11+,12-,13-,14-,16-/m1/s1
別名:methyl 4,9-di-O-acetyl-5-(acetylamino)-3,5-dideoxy-D-glycero-alpha-D-galacto-non-2-ulopyranosidonic acid
定義日:2008-03-20
最終更新日:2020-07-17
識別子（ID）:methyl 4,9-di-O-acetyl-5-(acetylamino)-3,5-dideoxy-D-glycero-alpha-D-galacto-non-2-ulopyranosidonic acid
SIZ
SIZ
表記:2-deoxy-2-[(difluoroacetyl)amino]-beta-D-galactopyranose
組成式:C8 H13 F2 N O6
SMILES:OC[CH]1O[CH](O)[CH](NC(=O)C(F)F)[CH](O)[CH]1O
InChi:InChI=1S/C8H13F2NO6/c9-6(10)7(15)11-3-5(14)4(13)2(1-12)17-8(3)16/h2-6,8,12-14,16H,1H2,(H,11,15)/t2-,3-,4+,5-,8-/m1/s1
別名:N-DIFLUOROACETYL-D-GALACTOSAMINE
定義日:2015-12-14
最終更新日:2020-07-17
公開日:2016-03-30
識別子（ID）:2,2-bis(fluoranyl)-N-[(2R,3R,4R,5R,6R)-6-(hydroxymethyl)-2,4,5-tris(oxidanyl)oxan-3-yl]ethanamide
7NU
7NU
表記:phenyl 6,7-anhydro-D-glycero-beta-D-galacto-heptopyranoside
組成式:C13 H16 O6
SMILES:O[CH]1[CH](O)[CH](O[CH]([CH]2CO2)[CH]1O)Oc3ccccc3
InChi:InChI=1S/C13H16O6/c14-9-10(15)12(8-6-17-8)19-13(11(9)16)18-7-4-2-1-3-5-7/h1-5,8-16H,6H2/t8-,9+,10-,11-,12-,13-/m1/s1
別名:Phenyl 6,7-dideoxy-6,7-epoxy-beta-D-galacto-heptopyranoside(6D)
定義日:2016-11-28
最終更新日:2020-07-17
公開日:2017-10-11
識別子（ID）:(2~{S},3~{R},4~{S},5~{R},6~{S})-2-[(2~{R})-oxiran-2-yl]-6-phenoxy-oxane-3,4,5-triol
SLB
SLB
表記:N-acetyl-beta-neuraminic acid
組成式:C11 H19 N O9
SMILES:O=C(O)C1(O)OC(C(O)C(O)CO)C(NC(=O)C)C(O)C1
InChi:InChI=1S/C11H19NO9/c1-4(14)12-7-5(15)2-11(20,10(18)19)21-9(7)8(17)6(16)3-13/h5-9,13,15-17,20H,2-3H2,1H3,(H,12,14)(H,18,19)/t5-,6+,7+,8+,9+,11-/m0/s1
別名:N-acetylneuraminic acid
定義日:2001-04-20
最終更新日:2020-07-17
識別子（ID）:5-(acetylamino)-3,5-dideoxy-D-glycero-beta-D-galacto-non-2-ulopyranosonic acid
SLM
SLM
表記:(2S,4S,5R,6R)-5-acetamido-2,4-dihydroxy-6-[(1R,2R)-1,2,3-trihydroxypropyl]oxane-2-carboxamide
組成式:C11 H20 N2 O8
SMILES:O=C(N)C1(O)OC(C(O)C(O)CO)C(NC(=O)C)C(O)C1
InChi:InChI=1S/C11H20N2O8/c1-4(15)13-7-5(16)2-11(20,10(12)19)21-9(7)8(18)6(17)3-14/h5-9,14,16-18,20H,2-3H2,1H3,(H2,12,19)(H,13,15)/t5-,6+,7+,8+,9+,11-/m0/s1
別名:SIALYLAMIDE
定義日:2010-11-04
最終更新日:2020-07-17
識別子（ID）:(2S,4S,5R,6R)-5-(acetylamino)-2,4-dihydroxy-6-[(1R,2R)-1,2,3-trihydroxypropyl]tetrahydro-2H-pyran-2-carboxamide (non-preferred name)
SLS
SLS
表記:3,4-dihydro-2~{H}-chromene-6-carboxamide
組成式:C10 H11 N O2
SMILES:NC(=O)c1ccc2OCCCc2c1
InChi:InChI=1S/C10H11NO2/c11-10(12)8-3-4-9-7(6-8)2-1-5-13-9/h3-4,6H,1-2,5H2,(H2,11,12)
定義日:2020-03-11
最終更新日:2020-07-17
公開日:2020-07-22
識別子（ID）:3,4-dihydro-2~{H}-chromene-6-carboxamide
SLT
SLT
表記:5-(ACETYLAMINO)-3,5-DIDEOXYNON-2-ULOPYRANONOSYL-(2->3)-BETA-D-LYXO-HEXOPYRANOSYL-(1->4)HEXOPYRANOSE
組成式:C23 H39 N O19
SMILES:O=C(NC1C(O)CC(OC1C(O)C(O)CO)(OC3C(O)C(OC(OC2C(OC(O)C(O)C2O)CO)C3O)CO)C(=O)O)C
InChi:InChI=1S/C23H39NO19/c1-6(28)24-11-7(29)2-23(22(37)38,42-18(11)12(31)8(30)3-25)43-19-13(32)9(4-26)40-21(16(19)35)41-17-10(5-27)39-20(36)15(34)14(17)33/h7-21,25-27,29-36H,2-5H2,1H3,(H,24,28)(H,37,38)/t7-,8+,9+,10+,11+,12+,13-,14+,15+,16+,17+,18+,19-,20-,21-,23-/m0/s1
別名:LACTOSE SIALIC ACID
定義日:2004-01-19
最終更新日:2020-07-17
識別子（ID）:5-(acetylamino)-3,5-dideoxy-D-glycero-alpha-D-galacto-non-2-ulopyranonosyl-(2->3)-beta-D-galactopyranosyl-(1->4)-alpha-D-glucopyranose
SLV
SLV
表記:~{N}-(3-oxidanyl-4-propyl-phenyl)ethanamide
組成式:C11 H15 N O2
SMILES:CCCc1ccc(NC(C)=O)cc1O
InChi:InChI=1S/C11H15NO2/c1-3-4-9-5-6-10(7-11(9)14)12-8(2)13/h5-7,14H,3-4H2,1-2H3,(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）:~{N}-(3-oxidanyl-4-propyl-phenyl)ethanamide
SLY
SLY
表記:(2-phenoxyphenyl)methanamine
組成式:C13 H13 N O
SMILES:NCc1ccccc1Oc2ccccc2
InChi:InChI=1S/C13H13NO/c14-10-11-6-4-5-9-13(11)15-12-7-2-1-3-8-12/h1-9H,10,14H2
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-phenoxyphenyl)methanamine
SMD
SMD
表記:METHYL-2-S-(ALPHA-D-MANNOPYRANOSYL)-2-THIO-ALPHA-D-MANNOPYRANOSIDE
組成式:C13 H24 O10 S
SMILES:S(C1C(OC)OC(CO)C(O)C1O)C2OC(C(O)C(O)C2O)CO
InChi:InChI=1S/C13H24O10S/c1-21-12-11(9(19)7(17)4(2-14)22-12)24-13-10(20)8(18)6(16)5(3-15)23-13/h4-20H,2-3H2,1H3/t4-,5-,6-,7-,8+,9+,10+,11+,12+,13-/m1/s1
定義日:2004-09-03
最終更新日:2020-07-17
識別子（ID）:methyl 2-S-alpha-D-mannopyranosyl-2-thio-alpha-D-mannopyranoside
SMV
SMV
表記:thiophene-2-carbothioamide
組成式:C5 H5 N S2
SMILES:NC(=S)c1sccc1
InChi:InChI=1S/C5H5NS2/c6-5(7)4-2-1-3-8-4/h1-3H,(H2,6,7)
定義日:2020-03-11
最終更新日:2020-07-17
公開日:2020-07-22
識別子（ID）:thiophene-2-carbothioamide
SN5
SN5
表記:2-deoxy-2-(ethanethioylamino)-beta-D-glucopyranose
組成式:C8 H15 N O5 S
SMILES:S=C(NC1C(O)C(O)C(OC1O)CO)C
InChi:InChI=1S/C8H15NO5S/c1-3(15)9-5-7(12)6(11)4(2-10)14-8(5)13/h4-8,10-13H,2H2,1H3,(H,9,15)/t4-,5-,6-,7-,8-/m1/s1
別名:N-ethanethioyl-beta-D-glucosamine
定義日:2009-06-04
最終更新日:2020-07-17
識別子（ID）:2-deoxy-2-(ethanethioylamino)-beta-D-glucopyranose
SNG
SNG
表記:methyl 2-acetamido-2-deoxy-1-seleno-beta-D-glucopyranoside
組成式:C9 H17 N O5 Se
SMILES:O=C(NC1C(O)C(O)C(OC1[Se]C)CO)C
InChi:InChI=1S/C9H17NO5Se/c1-4(12)10-6-8(14)7(13)5(3-11)15-9(6)16-2/h5-9,11,13-14H,3H2,1-2H3,(H,10,12)/t5-,6-,7-,8-,9+/m1/s1
別名:METHYL 2-ACETAMIDO-1,2-DIDEOXY-1-SELENO-BETA-D-GLUCOPYRANOSIDE
定義日:2002-12-20
最終更新日:2020-07-17
識別子（ID）:methyl 2-(acetylamino)-2-deoxy-1-seleno-beta-D-glucopyranoside
SNJ
SNJ
表記:2,5-diphenyl-4~{H}-pyrazol-3-one
組成式:C15 H12 N2 O
SMILES:O=C1CC(=NN1c2ccccc2)c3ccccc3
InChi:InChI=1S/C15H12N2O/c18-15-11-14(12-7-3-1-4-8-12)16-17(15)13-9-5-2-6-10-13/h1-10H,11H2
定義日:2020-03-11
最終更新日:2020-07-17
公開日:2020-07-22
識別子（ID）:2,5-diphenyl-4~{H}-pyrazol-3-one
SNV
SNV
表記:2-[4-(2-aminophenyl)piperazin-1-yl]ethanol
組成式:C12 H19 N3 O
SMILES:Nc1ccccc1N2CCN(CCO)CC2
InChi:InChI=1S/C12H19N3O/c13-11-3-1-2-4-12(11)15-7-5-14(6-8-15)9-10-16/h1-4,16H,5-10,13H2
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-(2-aminophenyl)piperazin-1-yl]ethanol
SO7
SO7
表記:(3~{S})-~{N}-methoxy-1-(4-methoxyphenyl)-~{N}-methyl-5-oxidanylidene-pyrrolidine-3-carboxamide
組成式:C14 H18 N2 O4
SMILES:CON(C)C(=O)[CH]1CN(C(=O)C1)c2ccc(OC)cc2
InChi:InChI=1S/C14H18N2O4/c1-15(20-3)14(18)10-8-13(17)16(9-10)11-4-6-12(19-2)7-5-11/h4-7,10H,8-9H2,1-3H3/t10-/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})-~{N}-methoxy-1-(4-methoxyphenyl)-~{N}-methyl-5-oxidanylidene-pyrrolidine-3-carboxamide
SOE
SOE
表記:alpha-L-sorbopyranose
組成式:C6 H12 O6
SMILES:OC1C(O)(OCC(O)C1O)CO
InChi:InChI=1S/C6H12O6/c7-2-6(11)5(10)4(9)3(8)1-12-6/h3-5,7-11H,1-2H2/t3-,4+,5-,6+/m0/s1
別名:alpha-L-sorbose
定義日:2010-05-14
最終更新日:2020-07-17
識別子（ID）:alpha-L-sorbopyranose
SOG
SOG
表記:octyl 1-thio-beta-D-glucopyranoside
組成式:C14 H28 O5 S
SMILES:S(CCCCCCCC)C1OC(C(O)C(O)C1O)CO
InChi:InChI=1S/C14H28O5S/c1-2-3-4-5-6-7-8-20-14-13(18)12(17)11(16)10(9-15)19-14/h10-18H,2-9H2,1H3/t10-,11-,12+,13-,14+/m1/s1
別名:2-HYDROXYMETHYL-6-OCTYLSULFANYL-TETRAHYDRO-PYRAN-3,4,5-TRIOL
定義日:2003-01-21
最終更新日:2020-07-17
識別子（ID）:octyl 1-thio-beta-D-glucopyranoside
SOJ
SOJ
表記:~{N}4-phenylbenzene-1,4-diamine
組成式:C12 H12 N2
SMILES:Nc1ccc(Nc2ccccc2)cc1
InChi:InChI=1S/C12H12N2/c13-10-6-8-12(9-7-10)14-11-4-2-1-3-5-11/h1-9,14H,13H2
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}4-phenylbenzene-1,4-diamine
SOR
SOR
表記:sorbitol
組成式:C6 H14 O6
SMILES:OC(C(O)CO)C(O)C(O)CO
InChi:InChI=1S/C6H14O6/c7-1-3(9)5(11)6(12)4(10)2-8/h3-12H,1-2H2/t3-,4+,5-,6-/m1/s1
別名:D-sorbitol
定義日:1999-07-08
最終更新日:2020-07-17
識別子（ID）:D-glucitol
SOV
SOV
表記:5-[2,5-bis(oxidanylidene)pyrrol-1-yl]-2-methyl-benzenecarbonitrile
組成式:C12 H8 N2 O2
SMILES:Cc1ccc(cc1C#N)N2C(=O)C=CC2=O
InChi:InChI=1S/C12H8N2O2/c1-8-2-3-10(6-9(8)7-13)14-11(15)4-5-12(14)16/h2-6H,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）:5-[2,5-bis(oxidanylidene)pyrrol-1-yl]-2-methyl-benzenecarbonitrile
SQ4
SQ4
表記:1-(4-aminophenyl)pyrrole-2,5-dione
組成式:C10 H8 N2 O2
SMILES:Nc1ccc(cc1)N2C(=O)C=CC2=O
InChi:InChI=1S/C10H8N2O2/c11-7-1-3-8(4-2-7)12-9(13)5-6-10(12)14/h1-6H,11H2
定義日:2020-03-11
最終更新日:2020-07-17
公開日:2020-07-22
識別子（ID）:1-(4-aminophenyl)pyrrole-2,5-dione
SQ7
SQ7
表記:3-(4-chlorophenyl)imidazole-2,4-dione
組成式:C9 H5 Cl N2 O2
SMILES:Clc1ccc(cc1)N2C(=O)C=NC2=O
InChi:InChI=1S/C9H5ClN2O2/c10-6-1-3-7(4-2-6)12-8(13)5-11-9(12)14/h1-5H
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-(4-chlorophenyl)imidazole-2,4-dione

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