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KDN
KDN
表記:deamino-beta-neuraminic acid
組成式:C9 H16 O9
SMILES:O=C(O)C1(O)OC(C(O)C(O)CO)C(O)C(O)C1
InChi:InChI=1S/C9H16O9/c10-2-4(12)6(14)7-5(13)3(11)1-9(17,18-7)8(15)16/h3-7,10-14,17H,1-2H2,(H,15,16)/t3-,4+,5+,6+,7+,9-/m0/s1
別名:beta-deaminoneuraminic acid
定義日:2008-09-18
最終更新日:2020-07-17
識別子（ID）:3-deoxy-D-glycero-beta-D-galacto-non-2-ulopyranosonic acid
KDR
KDR
表記:prop-2-en-1-yl 3-deoxy-alpha-D-manno-octos-2-ulopyranoside
組成式:C11 H18 O7
SMILES:O=CC1(OCC=C)OC(C(O)CO)C(O)C(O)C1
InChi:InChI=1S/C11H18O7/c1-2-3-17-11(6-13)4-7(14)9(16)10(18-11)8(15)5-12/h2,6-10,12,14-16H,1,3-5H2/t7-,8-,9-,10-,11-/m1/s1
別名:prop-2-en-1-yl 3-deoxy-alpha-D-manno-octos-2-uloside
定義日:2008-01-14
最終更新日:2020-07-17
識別子（ID）:prop-2-en-1-yl 3-deoxy-alpha-D-manno-octos-2-ulopyranoside
AXR
AXR
表記:methyl alpha-D-arabinofuranoside
組成式:C6 H12 O5
SMILES:OC1C(OC(OC)C1O)CO
InChi:InChI=1S/C6H12O5/c1-10-6-5(9)4(8)3(2-7)11-6/h3-9H,2H2,1H3/t3-,4-,5+,6+/m1/s1
別名:1-O-methyl-alpha-D-arabinofuranoside
定義日:2009-06-03
最終更新日:2020-07-17
識別子（ID）:methyl alpha-D-arabinofuranoside
PDX
PDX
表記:2,3-di-O-sulfo-alpha-D-glucopyranose
組成式:C6 H12 O12 S2
SMILES:O=S(=O)(O)OC1C(O)C(OC(O)C1OS(=O)(=O)O)CO
InChi:InChI=1S/C6H12O12S2/c7-1-2-3(8)4(17-19(10,11)12)5(6(9)16-2)18-20(13,14)15/h2-9H,1H2,(H,10,11,12)(H,13,14,15)/t2-,3-,4+,5-,6+/m1/s1
別名:2,3-di-O-sulfo-alpha-D-glucose
定義日:2002-10-23
最終更新日:2020-07-17
識別子（ID）:2,3-di-O-sulfo-alpha-D-glucopyranose
AY9
AY9
表記:Ascopyrone M
組成式:C6 H8 O4
SMILES:O=C1C(O)=CC(OC1)CO
InChi:InChI=1S/C6H8O4/c7-2-4-1-5(8)6(9)3-10-4/h1,4,7-8H,2-3H2/t4-/m0/s1
定義日:2011-11-15
最終更新日:2020-07-17
識別子（ID）:(6S)-4-hydroxy-6-(hydroxymethyl)-2H-pyran-3(6H)-one
AZC
AZC
表記:N-(acetylcarbamoyl)-beta-D-glucopyranosylamine
組成式:C9 H16 N2 O7
SMILES:O=C(NC1OC(C(O)C(O)C1O)CO)NC(=O)C
InChi:InChI=1S/C9H16N2O7/c1-3(13)10-9(17)11-8-7(16)6(15)5(14)4(2-12)18-8/h4-8,12,14-16H,2H2,1H3,(H2,10,11,13,17)/t4-,5-,6+,7-,8-/m1/s1
別名:N-ACETYL-N'-BETA-D-GLUCOPYRANOSYL UREA
定義日:2001-09-21
最終更新日:2020-07-17
識別子（ID）:N-(acetylcarbamoyl)-beta-D-glucopyranosylamine
B16
B16
表記:1,6-di-O-phosphono-beta-D-glucopyranose
組成式:C6 H14 O12 P2
SMILES:O=P(O)(O)OCC1OC(OP(=O)(O)O)C(O)C(O)C1O
InChi:InChI=1S/C6H14O12P2/c7-3-2(1-16-19(10,11)12)17-6(5(9)4(3)8)18-20(13,14)15/h2-9H,1H2,(H2,10,11,12)(H2,13,14,15)/t2-,3-,4+,5-,6+/m1/s1
別名:1,6-di-O-phosphono-beta-D-glucose
定義日:2011-12-06
最終更新日:2020-07-17
識別子（ID）:1,6-di-O-phosphono-beta-D-glucopyranose
B1H
B1H
表記:(1S)-1,5-anhydro-1-(3-{4-[hydroxy(oxo)azaniumyl]phenyl}-1H-1,2,4-triazol-5-yl)-D-glucitol
組成式:C14 H17 N4 O7
SMILES:OC[CH]1O[CH]([CH](O)[CH](O)[CH]1O)c2[nH]nc(n2)c3ccc(cc3)[N+](O)=O
InChi:InChI=1S/C14H17N4O7/c19-5-8-9(20)10(21)11(22)12(25-8)14-15-13(16-17-14)6-1-3-7(4-2-6)18(23)24/h1-4,8-12,19-22H,5H2,(H,23,24)(H,15,16,17)/q+1/t8-,9-,10+,11-,12-/m1/s1
別名:[4-[5-[(2~{S},3~{R},4~{R},5~{S},6~{R})-6-(hydroxymethyl)-3,4,5-tris(oxidanyl)oxan-2-yl]-1~{H}-1,2,4-triazol-3-yl]phenyl ]-oxidanyl-oxidanylidene-azanium
定義日:2017-09-05
最終更新日:2020-07-17
公開日:2018-02-28
識別子（ID）:[4-[5-[(2~{S},3~{R},4~{R},5~{S},6~{R})-6-(hydroxymethyl)-3,4,5-tris(oxidanyl)oxan-2-yl]-1~{H}-1,2,4-triazol-3-yl]phenyl ]-oxidanyl-oxidanylidene-azanium
B1N
B1N
表記:(1S)-1,5-anhydro-1-(2,5-dihydroxyphenyl)-D-glucitol
組成式:C14 H17 N3 O6
SMILES:OC[CH]1O[CH]([CH](O)[CH](O)[CH]1O)c2[nH]nc(n2)c3ccc(O)cc3
InChi:InChI=1S/C14H17N3O6/c18-5-8-9(20)10(21)11(22)12(23-8)14-15-13(16-17-14)6-1-3-7(19)4-2-6/h1-4,8-12,18-22H,5H2,(H,15,16,17)/t8-,9-,10+,11-,12-/m1/s1
別名:(2~{R},3~{S},4~{R},5~{R},6~{S})-2-(hydroxymethyl)-6-[3-(4-hydroxyphenyl)-1~{H}-1,2,4-triazol-5-yl]oxane-3,4,5-triol
定義日:2017-09-05
最終更新日:2020-07-17
公開日:2018-02-28
識別子（ID）:(2~{R},3~{S},4~{R},5~{R},6~{S})-2-(hydroxymethyl)-6-[3-(4-hydroxyphenyl)-1~{H}-1,2,4-triazol-5-yl]oxane-3,4,5-triol
B2G
B2G
表記:GALACTOBIOSE
組成式:C12 H22 O11
SMILES:O(C1C(OC(O)C(O)C1O)CO)C2OC(C(O)C(O)C2O)CO
InChi:InChI=1S/C12H22O11/c13-1-3-5(15)6(16)9(19)12(22-3)23-10-4(2-14)21-11(20)8(18)7(10)17/h3-20H,1-2H2/t3-,4-,5+,6+,7-,8-,9-,10+,11-,12+/m1/s1
別名:BETA-1,4-GALACTOBIOSIDE
定義日:2003-10-23
最終更新日:2020-07-17
識別子（ID）:4-O-beta-D-galactopyranosyl-beta-D-galactopyranose
B4G
B4G
表記:GALACTOTRIOSE
組成式:C18 H32 O16
SMILES:O(C1C(OC(O)C(O)C1O)CO)C3OC(C(OC2OC(CO)C(O)C(O)C2O)C(O)C3O)CO
InChi:InChI=1S/C18H32O16/c19-1-4-7(22)8(23)12(27)17(31-4)34-15-6(3-21)32-18(13(28)10(15)25)33-14-5(2-20)30-16(29)11(26)9(14)24/h4-29H,1-3H2/t4-,5-,6-,7+,8+,9-,10-,11-,12-,13-,14+,15+,16-,17+,18+/m1/s1
別名:BETA-1,4-GALACTOTRIOSIDE
定義日:2003-10-23
最終更新日:2020-07-17
識別子（ID）:beta-D-galactopyranosyl-(1->4)-beta-D-galactopyranosyl-(1->4)-beta-D-galactopyranose
PKM
PKM
表記:4-O-acetyl-5-acetamido-3,5-dideoxy-D-glycero-alpha-D-galacto-non-2-ulopyranosonic acid
組成式:C13 H21 N O10
SMILES:C(=O)(O)C1(O)CC(OC(=O)C)C(C(O1)C(C(O)CO)O)NC(C)=O
InChi:InChI=1S/C13H21NO10/c1-5(16)14-9-8(23-6(2)17)3-13(22,12(20)21)24-11(9)10(19)7(18)4-15/h7-11,15,18-19,22H,3-4H2,1-2H3,(H,14,16)(H,20,21)/t7-,8+,9-,10-,11-,13-/m1/s1
別名:4-O-acetyl-5-(acetylamino)-3,5-dideoxy-D-glycero-alpha-D-galacto-non-2-ulopyranosonic acid
定義日:2019-08-14
最終更新日:2020-07-17
公開日:2020-02-12
識別子（ID）:4-O-acetyl-5-(acetylamino)-3,5-dideoxy-D-glycero-alpha-D-galacto-non-2-ulopyranosonic acid
604
604
表記:2-[(3-bromobenzene-1-carbonyl)amino]-6-{[(4-carboxy-5-methylfuran-2-yl)sulfonyl]amino}-2,6-dideoxy-alpha-D-glucopyranos e
組成式:C19 H21 Br N2 O10 S
SMILES:Cc1oc(cc1C(O)=O)[S](=O)(=O)NC[CH]2O[CH](O)[CH](NC(=O)c3cccc(Br)c3)[CH](O)[CH]2O
InChi:InChI=1S/C19H21BrN2O10S/c1-8-11(18(26)27)6-13(31-8)33(29,30)21-7-12-15(23)16(24)14(19(28)32-12)22-17(25)9-3-2-4-10(20)5-9/h2-6,12,14-16,19,21,23-24,28H,7H2,1H3,(H,22,25)(H,26,27)/t12-,14-,15-,16-,19+/m1/s1
別名:5-[[(2~{R},3~{S},4~{R},5~{R},6~{S})-5-[(3-bromophenyl)carbonylamino]-3,4,6-tris(oxidanyl)oxan-2-yl]methylsulfamoyl]-2-m ethyl-furan-3-carboxylic acid
定義日:2016-01-07
最終更新日:2020-07-17
公開日:2016-03-30
識別子（ID）:5-[[(2~{R},3~{S},4~{R},5~{R},6~{S})-5-[(3-bromophenyl)carbonylamino]-3,4,6-tris(oxidanyl)oxan-2-yl]methylsulfamoyl]-2-m ethyl-furan-3-carboxylic acid
PNA
PNA
表記:4-nitrophenyl alpha-D-mannopyranoside
組成式:C12 H15 N O8
SMILES:[O-][N+](=O)c2ccc(OC1OC(C(O)C(O)C1O)CO)cc2
InChi:InChI=1S/C12H15NO8/c14-5-8-9(15)10(16)11(17)12(21-8)20-7-3-1-6(2-4-7)13(18)19/h1-4,8-12,14-17H,5H2/t8-,9-,10+,11+,12+/m1/s1
別名:4'-NITROPHENYL-ALPHA-D-MANNOPYRANOSIDE
定義日:1999-07-08
最終更新日:2020-07-17
識別子（ID）:4-nitrophenyl alpha-D-mannopyranoside
PNG
PNG
表記:4-nitrophenyl alpha-D-glucopyranoside
組成式:C12 H15 N O8
SMILES:[O-][N+](=O)c2ccc(OC1OC(C(O)C(O)C1O)CO)cc2
InChi:InChI=1S/C12H15NO8/c14-5-8-9(15)10(16)11(17)12(21-8)20-7-3-1-6(2-4-7)13(18)19/h1-4,8-12,14-17H,5H2/t8-,9-,10+,11-,12+/m1/s1
別名:4'-NITROPHENYL-ALPHA-D-GLUCOPYRANOSIDE
定義日:1999-07-08
最終更新日:2020-07-17
識別子（ID）:4-nitrophenyl alpha-D-glucopyranoside
PNJ
PNJ
表記:4-nitrophenyl 2-amino-2-deoxy-beta-D-glucopyranoside
組成式:C12 H16 N2 O7
SMILES:N[CH]1[CH](O)[CH](O)[CH](CO)O[CH]1Oc2ccc(cc2)[N+]([O-])=O
InChi:InChI=1S/C12H16N2O7/c13-9-11(17)10(16)8(5-15)21-12(9)20-7-3-1-6(2-4-7)14(18)19/h1-4,8-12,15-17H,5,13H2/t8-,9-,10-,11-,12-/m1/s1
別名:PNP-BETA-D-GLUCOSAMINE
定義日:2008-08-05
最終更新日:2020-07-17
識別子（ID）:(2~{R},3~{S},4~{R},5~{R},6~{S})-5-azanyl-2-(hydroxymethyl)-6-(4-nitrophenoxy)oxane-3,4-diol
PNW
PNW
表記:4-nitrophenyl beta-D-glucopyranoside
組成式:C12 H15 N O8
SMILES:[O-][N+](=O)c2ccc(OC1OC(C(O)C(O)C1O)CO)cc2
InChi:InChI=1S/C12H15NO8/c14-5-8-9(15)10(16)11(17)12(21-8)20-7-3-1-6(2-4-7)13(18)19/h1-4,8-12,14-17H,5H2/t8-,9-,10+,11-,12-/m1/s1
別名:4'-NITROPHENYL-BETA-D-GLUCOPYRANOSIDE
定義日:2010-05-25
最終更新日:2020-07-17
識別子（ID）:4-nitrophenyl beta-D-glucopyranoside
61J
61J
表記:(6S)-2,6-anhydro-1-deoxy-6-(2-{[(S)-hydroxy(oxido)-lambda~5~-phosphanyl]oxy}ethyl)-D-galactitol
組成式:C8 H17 O7 P
SMILES:C1(C)C(C(C(C(O1)CCOP(=O)O)O)O)O
InChi:InChI=1S/C8H17O7P/c1-4-6(9)8(11)7(10)5(15-4)2-3-14-16(12)13/h4-11,16H,2-3H2,1H3,(H,12,13)/t4-,5-,6+,7+,8+/m0/s1
定義日:2016-01-13
最終更新日:2020-07-17
公開日:2016-03-02
識別子（ID）:(6S)-2,6-anhydro-1-deoxy-6-(2-{[(S)-hydroxy(oxido)-lambda~5~-phosphanyl]oxy}ethyl)-D-galactitol
62I
62I
表記:(6R)-1-O-acetyl-2,6-anhydro-6-{[4-(sulfamoyloxy)piperidin-1-yl]sulfonyl}-L-glucitol
組成式:C13 H24 N2 O11 S2
SMILES:C1(C(O)C(O)C(C(COC(=O)C)O1)O)S(=O)(=O)N2CCC(CC2)OS(=O)(=O)N
InChi:InChI=1S/C13H24N2O11S2/c1-7(16)24-6-9-10(17)11(18)12(19)13(25-9)27(20,21)15-4-2-8(3-5-15)26-28(14,22)23/h8-13,17-19H,2-6H2,1H3,(H2,14,22,23)/t9-,10+,11-,12-,13-/m1/s1
定義日:2015-05-21
最終更新日:2020-07-17
公開日:2015-08-26
識別子（ID）:(6R)-1-O-acetyl-2,6-anhydro-6-{[4-(sulfamoyloxy)piperidin-1-yl]sulfonyl}-L-glucitol
PPC
PPC
表記:1-O-[(R)-hydroxy(phosphonomethyl)phosphoryl]-5-O-phosphono-alpha-D-ribofuranose
組成式:C6 H15 O13 P3
SMILES:O=P(OC1OC(C(O)C1O)COP(=O)(O)O)(O)CP(=O)(O)O
InChi:InChI=1S/C6H15O13P3/c7-4-3(1-17-22(14,15)16)18-6(5(4)8)19-21(12,13)2-20(9,10)11/h3-8H,1-2H2,(H,12,13)(H2,9,10,11)(H2,14,15,16)/t3-,4-,5-,6-/m1/s1
別名:5-PHOSPHORIBOSYL-1-(BETA-METHYLENE) PYROPHOSPHATE
定義日:1999-07-08
最終更新日:2020-07-17
識別子（ID）:1-O-[(R)-hydroxy(phosphonomethyl)phosphoryl]-5-O-phosphono-alpha-D-ribofuranose
LOG
LOG
表記:N-acetylglucosaminono-1,5-lactone (Z)-oxime
組成式:C8 H14 N2 O6
SMILES:O=C(NC1C(=NO)OC(CO)C(O)C1O)C
InChi:InChI=1S/C8H14N2O6/c1-3(12)9-5-7(14)6(13)4(2-11)16-8(5)10-15/h4-7,11,13-15H,2H2,1H3,(H,9,12)/b10-8-/t4-,5-,6-,7-/m1/s1
別名:LOGNAC
定義日:2010-07-22
最終更新日:2020-07-17
識別子（ID）:N-[(2Z,3R,4R,5S,6R)-4,5-dihydroxy-2-(hydroxyimino)-6-(hydroxymethyl)tetrahydro-2H-pyran-3-yl]acetamide (non-preferred name)
66O
66O
表記:alpha-L-6-dexoy-gulopyranose
組成式:C6 H12 O5
SMILES:C1(C(C(C(O)C(C)O1)O)O)O
InChi:InChI=1S/C6H12O5/c1-2-3(7)4(8)5(9)6(10)11-2/h2-10H,1H3/t2-,3+,4-,5-,6+/m0/s1
別名:alpha-L-6-dexoy-gulose
定義日:2016-02-04
最終更新日:2020-07-17
公開日:2020-07-29
識別子（ID）:6-deoxy-alpha-L-gulopyranose
LRH
LRH
表記:6-deoxy-beta-L-fructofuranose
組成式:C6 H12 O5
SMILES:OC1C(O)C(OC1(O)CO)C
InChi:InChI=1S/C6H12O5/c1-3-4(8)5(9)6(10,2-7)11-3/h3-5,7-10H,2H2,1H3/t3-,4-,5+,6-/m0/s1
別名:6-deoxy-beta-L-fructose
定義日:2007-04-13
最終更新日:2020-07-17
識別子（ID）:6-deoxy-beta-L-fructofuranose
6BG
6BG
表記:6-bromo-6-deoxy-beta-D-glucopyranose
組成式:C6 H11 Br O5
SMILES:BrCC1OC(O)C(O)C(O)C1O
InChi:InChI=1S/C6H11BrO5/c7-1-2-3(8)4(9)5(10)6(11)12-2/h2-6,8-11H,1H2/t2-,3-,4+,5-,6-/m1/s1
別名:6-bromo-6-deoxy-beta-D-glucose
定義日:2012-08-08
最終更新日:2020-07-17
公開日:2012-10-12
識別子（ID）:6-bromo-6-deoxy-beta-D-glucopyranose
LVQ
LVQ
表記:octa-anionic calixarene
組成式:C38 H37 As Na O25 S4
SMILES:C[As-](C)(O)OC1=[O+][Na]2345OC(=O)C[O+]2c6c7Cc8cc(cc(Cc9cc(cc(Cc%10cc(cc(Cc6cc(c7)[S](O)(=O)=O)c%10[O+]3CC(O)=O)[S](O)(=O)=O)c9[O+]4C1)[S](O)(=O)=O)c8[O+]5CC(O)=O)[S](O)(=O)=O
InChi:InChI=1S/C38H38AsO25S4.Na/c1-39(2,47)64-34(46)18-63-38-25-5-23-11-28(66(51,52)53)9-21(36(23)61-16-32(42)43)3-19-7-27(65(48,49)50)8-20(35(19)60-15-31(40)41)4-22-10-29(67(54,55)56)12-24(37(22)62-17-33(44)45)6-26(38)14-30(13-25)68(57,58)59
定義日:2019-09-17
最終更新日:2020-07-17
公開日:2020-07-22

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