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U8V
U8V
表記:6-O-butanoyl-alpha-D-glucopyranose
組成式:C10 H18 O7
SMILES:OC1C(C(O)C(O)C(COC(=O)CCC)O1)O
InChi:InChI=1S/C10H18O7/c1-2-3-6(11)16-4-5-7(12)8(13)9(14)10(15)17-5/h5,7-10,12-15H,2-4H2,1H3/t5-,7-,8+,9-,10+/m1/s1
定義日:2020-05-04
最終更新日:2020-07-17
公開日:2020-07-29
識別子（ID）:6-O-butanoyl-alpha-D-glucopyranose
JLT
JLT
表記:3,7-anhydro-1,2,8-trideoxy-1,8-diphosphono-D-glycero-D-gulo-octitol
組成式:C8 H18 O10 P2
SMILES:O[CH]1[CH](O)[CH](CC[P](O)(O)=O)O[CH](C[P](O)(O)=O)[CH]1O
InChi:InChI=1S/C8H18O10P2/c9-6-4(1-2-19(12,13)14)18-5(3-20(15,16)17)7(10)8(6)11/h4-11H,1-3H2,(H2,12,13,14)(H2,15,16,17)/t4-,5+,6-,7+,8+/m0/s1
別名:[(2~{S},3~{S},4~{R},5~{R},6~{S})-3,4,5-tris(oxidanyl)-6-(2-phosphonoethyl)oxan-2-yl]methylphosphonic acid
定義日:2019-03-11
最終更新日:2020-07-17
公開日:2020-04-01
識別子（ID）:[(2~{S},3~{S},4~{R},5~{R},6~{S})-3,4,5-tris(oxidanyl)-6-(2-phosphonoethyl)oxan-2-yl]methylphosphonic acid
UNS
UNS
表記:7-{2-[2-(2,4-dioxo-3,4-dihydropyrimidin-1(2H)-yl)ethoxy]-4-fluorophenoxy}-5,8-dimethylnaphthalene-2-carbonitrile
組成式:C25 H20 F N3 O4
SMILES:c2(c1c(cc(cc1)C#N)c(C)c(c2)Oc4ccc(cc4OCCN3C=CC(=O)NC3=O)F)C
InChi:InChI=1S/C25H20FN3O4/c1-15-11-22(16(2)20-12-17(14-27)3-5-19(15)20)33-21-6-4-18(26)13-23(21)32-10-9-29-8-7-24(30)28-25(29)31/h3-8,11-13H,9-10H2,1-2H3,(H,28,30,31)
定義日:2020-05-25
最終更新日:2020-07-17
公開日:2020-07-22
識別子（ID）:7-{2-[2-(2,4-dioxo-3,4-dihydropyrimidin-1(2H)-yl)ethoxy]-4-fluorophenoxy}-5,8-dimethylnaphthalene-2-carbonitrile
KG1
KG1
表記:propadienyl 6-deoxy-alpha-L-galactopyranoside
組成式:C9 H14 O5
SMILES:C[CH]1O[CH](O[CH]=[C]=[CH2])[CH](O)[CH](O)[CH]1O
InChi:InChI=1S/C9H14O5/c1-3-4-13-9-8(12)7(11)6(10)5(2)14-9/h4-12H,1H2,2H3/t5-,6+,7+,8-,9+/m0/s1
別名:propargyl-fucoside
定義日:2017-12-04
最終更新日:2020-07-17
公開日:2018-01-31
識別子（ID）:(2~{S},3~{S},4~{R},5~{S},6~{R})-2-methyl-6-propa-1,2-dienoxy-oxane-3,4,5-triol
ZDO
ZDO
表記:methyl 2-deoxy-6-O-sulfo-2-(sulfoamino)-alpha-D-glucopyranoside
組成式:C7 H15 N O11 S2
SMILES:O=S(=O)(O)OCC1OC(OC)C(NS(=O)(=O)O)C(O)C1O
InChi:InChI=1S/C7H15NO11S2/c1-17-7-4(8-20(11,12)13)6(10)5(9)3(19-7)2-18-21(14,15)16/h3-10H,2H2,1H3,(H,11,12,13)(H,14,15,16)/t3-,4-,5-,6-,7+/m1/s1
定義日:2012-12-19
最終更新日:2020-07-17
公開日:2020-07-29
識別子（ID）:methyl 2-deoxy-6-O-sulfo-2-(sulfoamino)-alpha-D-glucopyranoside
U97
U97
表記:2-O-sulfo-beta-L-galactopyranuronic acid
組成式:C6 H10 O10 S
SMILES:C1(C(C(=O)O)OC(O)C(C1O)OS(O)(=O)=O)O
InChi:InChI=1S/C6H10O10S/c7-1-2(8)4(16-17(12,13)14)6(11)15-3(1)5(9)10/h1-4,6-8,11H,(H,9,10)(H,12,13,14)/t1-,2+,3+,4-,6-/m0/s1
定義日:2020-05-04
最終更新日:2020-07-17
公開日:2020-07-29
識別子（ID）:2-O-sulfo-beta-L-galactopyranuronic acid
U9A
U9A
表記:[(2R,3R,4R,5R,6R)-2,4,5-trihydroxy-6-(sulfooxy)tetrahydro-2H-pyran-3-yl]sulfamic acid
組成式:C5 H11 N O11 S2
SMILES:C1(C(C(NS(O)(=O)=O)C(OC1OS(O)(=O)=O)O)O)O
InChi:InChI=1S/C5H11NO11S2/c7-2-1(6-18(10,11)12)4(9)16-5(3(2)8)17-19(13,14)15/h1-9H,(H,10,11,12)(H,13,14,15)/t1-,2-,3-,4-,5-/m1/s1
定義日:2020-05-04
最終更新日:2020-07-17
公開日:2020-07-29
識別子（ID）:[(2R,3R,4R,5R,6R)-2,4,5-trihydroxy-6-(sulfooxy)tetrahydro-2H-pyran-3-yl]sulfamic acid (non-preferred name)
UO4
UO4
表記:5-(cyclopropylmethyl)-7-{2-[2-(2,4-dioxo-3,4-dihydropyrimidin-1(2H)-yl)ethoxy]phenoxy}-8-methylnaphthalene-2-carbonitrile
組成式:C28 H25 N3 O4
SMILES:c1c(c(ccc1)Oc3c(C)c2cc(C#N)ccc2c(c3)CC4CC4)OCCN5C=CC(NC5=O)=O
InChi:InChI=1S/C28H25N3O4/c1-18-23-15-20(17-29)8-9-22(23)21(14-19-6-7-19)16-26(18)35-25-5-3-2-4-24(25)34-13-12-31-11-10-27(32)30-28(31)33/h2-5,8-11,15-16,19H,6-7,12-14H2,1H3,(H,30,32,33)
定義日:2020-05-25
最終更新日:2020-07-17
公開日:2020-07-22
識別子（ID）:5-(cyclopropylmethyl)-7-{2-[2-(2,4-dioxo-3,4-dihydropyrimidin-1(2H)-yl)ethoxy]phenoxy}-8-methylnaphthalene-2-carbonitrile
H3S
H3S
表記:HEPARIN DISACCHARIDE III-S
組成式:C12 H16 N O16 S2
SMILES:[O-]S(=O)(=O)OC2C(O)C=C(OC2OC1C(OC(O)C(NS([O-])(=O)=O)C1O)CO)C([O-])=O
InChi:InChI=1S/C12H19NO16S2/c14-2-5-9(7(16)6(11(19)26-5)13-30(20,21)22)28-12-8(29-31(23,24)25)3(15)1-4(27-12)10(17)18/h1,3,5-9,11-16,19H,2H2,(H,17,18)(H,20,21,22)(H,23,24,25)/p-3/t3-,5+,6+,7+,8+,9+,11-,12-/m0/s1
定義日:2004-08-03
最終更新日:2020-07-17
識別子（ID）:(2R,3R,4S)-2-{[(2R,3S,4R,5R,6S)-4,6-dihydroxy-2-(hydroxymethyl)-5-(sulfonatoamino)tetrahydro-2H-pyran-3-yl]oxy}-4-hydroxy-3-(sulfonatooxy)-3,4-dihydro-2H-pyran-6-carboxylate (non-preferred name)
LAH
LAH
表記:2-O-[(R)-hydroxy(propan-2-yloxy)phosphoryl]-alpha-L-arabinopyranose
組成式:C8 H17 O8 P
SMILES:O=P(OC1C(O)C(O)COC1O)(OC(C)C)O
InChi:InChI=1S/C8H17O8P/c1-4(2)15-17(12,13)16-7-6(10)5(9)3-14-8(7)11/h4-11H,3H2,1-2H3,(H,12,13)/t5-,6-,7+,8+/m0/s1
別名:2-O-[(R)-hydroxy(propan-2-yloxy)phosphoryl]-alpha-L-arabinose
定義日:2014-03-11
最終更新日:2020-07-17
公開日:2015-08-19
識別子（ID）:2-O-[(R)-hydroxy(propan-2-yloxy)phosphoryl]-alpha-L-arabinopyranose
U9G
U9G
表記:2,3-di-O-methyl-6-O-sulfo-alpha-D-glucopyranose
組成式:C8 H16 O9 S
SMILES:OC1C(OC(C(C1OC)OC)O)COS(O)(=O)=O
InChi:InChI=1S/C8H16O9S/c1-14-6-5(9)4(3-16-18(11,12)13)17-8(10)7(6)15-2/h4-10H,3H2,1-2H3,(H,11,12,13)/t4-,5-,6+,7-,8+/m1/s1
定義日:2020-05-05
最終更新日:2020-07-17
公開日:2020-07-29
識別子（ID）:2,3-di-O-methyl-6-O-sulfo-alpha-D-glucopyranose
LAK
LAK
表記:BETA-D-GALACTOPYRANOSYL-1-6-BETA-D-GLUCOPYRANOSE
組成式:C12 H22 O11
SMILES:O(CC1OC(O)C(O)C(O)C1O)C2OC(C(O)C(O)C2O)CO
InChi:InChI=1S/C12H22O11/c13-1-3-5(14)8(17)10(19)12(23-3)21-2-4-6(15)7(16)9(18)11(20)22-4/h3-20H,1-2H2/t3-,4-,5+,6-,7+,8+,9-,10-,11-,12-/m1/s1
別名:ALLOLACTOSE
定義日:2001-10-02
最終更新日:2020-07-17
識別子（ID）:6-O-beta-D-galactopyranosyl-beta-D-glucopyranose
ZEL
ZEL
表記:methyl beta-D-altropyranoside
組成式:C7 H14 O6
SMILES:OC1C(O)C(O)C(OC1OC)CO
InChi:InChI=1S/C7H14O6/c1-12-7-6(11)5(10)4(9)3(2-8)13-7/h3-11H,2H2,1H3/t3-,4-,5-,6+,7-/m1/s1
定義日:2012-12-18
最終更新日:2020-07-17
公開日:2020-07-29
識別子（ID）:methyl beta-D-altropyranoside
NPF
NPF
表記:2-nitrophenyl beta-D-fucopyranoside
組成式:C12 H15 N O7
SMILES:[O-][N+](=O)c2c(OC1OC(C(O)C(O)C1O)C)cccc2
InChi:InChI=1S/C12H15NO7/c1-6-9(14)10(15)11(16)12(19-6)20-8-5-3-2-4-7(8)13(17)18/h2-6,9-12,14-16H,1H3/t6-,9+,10+,11-,12+/m1/s1
別名:ORTHONITROPHENYL-BETA-D-FUCOPYRANOSIDE
定義日:2000-02-08
最終更新日:2020-07-17
識別子（ID）:2-nitrophenyl 6-deoxy-beta-D-galactopyranoside
KGM
KGM
表記:heptyl alpha-D-mannopyranoside
組成式:C13 H26 O6
SMILES:O(CCCCCCC)C1OC(C(O)C(O)C1O)CO
InChi:InChI=1S/C13H26O6/c1-2-3-4-5-6-7-18-13-12(17)11(16)10(15)9(8-14)19-13/h9-17H,2-8H2,1H3/t9-,10-,11+,12+,13+/m1/s1
別名:Heptyl Alpha-D-mannopyrannoside
定義日:2013-06-23
最終更新日:2020-07-17
公開日:2014-02-12
識別子（ID）:heptyl alpha-D-mannopyranoside
U9M
U9M
表記:(2R,3R,4S,5S,6S)-6-(dihydroxymethyl)-3,4-dimethoxytetrahydro-2H-pyran-2,5-diol
組成式:C8 H16 O7
SMILES:OC1C(OC(C(C1OC)OC)O)C(O)O
InChi:InChI=1S/C8H16O7/c1-13-4-3(9)5(7(10)11)15-8(12)6(4)14-2/h3-12H,1-2H3/t3-,4-,5-,6+,8+/m0/s1
定義日:2020-05-05
最終更新日:2020-07-17
公開日:2020-07-29
識別子（ID）:(2R,3R,4S,5S,6S)-6-(dihydroxymethyl)-3,4-dimethoxytetrahydro-2H-pyran-2,5-diol (non-preferred name)
LAT
LAT
表記:BETA-LACTOSE
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
定義日:1999-07-08
最終更新日:2020-07-17
識別子（ID）:4-O-beta-D-galactopyranosyl-beta-D-glucopyranose
NBG
NBG
表記:N-acetyl-beta-D-glucopyranosylamine
組成式:C8 H15 N O6
SMILES:O=C(NC1OC(C(O)C(O)C1O)CO)C
InChi:InChI=1S/C8H15NO6/c1-3(11)9-8-7(14)6(13)5(12)4(2-10)15-8/h4-8,10,12-14H,2H2,1H3,(H,9,11)/t4-,5-,6+,7-,8-/m1/s1
別名:1-N-ACETYL-BETA-D-GLUCOSAMINE
定義日:1999-07-08
最終更新日:2020-07-17
識別子（ID）:N-acetyl-beta-D-glucopyranosylamine
S7P
S7P
表記:1-C-(hydroxymethyl)-6-O-phosphono-beta-D-altrofuranose
組成式:C7 H15 O10 P
SMILES:O=P(O)(O)OCC(O)C1OC(O)(CO)C(O)C1O
InChi:InChI=1S/C7H15O10P/c8-2-7(12)6(11)4(10)5(17-7)3(9)1-16-18(13,14)15/h3-6,8-12H,1-2H2,(H2,13,14,15)/t3-,4-,5-,6+,7-/m1/s1
別名:1-C-(hydroxymethyl)-6-O-phosphono-beta-D-altrose
定義日:2014-08-28
最終更新日:2020-07-17
公開日:2015-08-12
識別子（ID）:1-C-(hydroxymethyl)-6-O-phosphono-beta-D-altrofuranose
LB2
LB2
表記:3-O-beta-D-glucopyranosyl-beta-D-glucopyranose
組成式:C12 H22 O11
SMILES:O(C1C(O)C(O)OC(CO)C1O)C2OC(C(O)C(O)C2O)CO
InChi:InChI=1S/C12H22O11/c13-1-3-5(15)7(17)8(18)12(22-3)23-10-6(16)4(2-14)21-11(20)9(10)19/h3-20H,1-2H2/t3-,4-,5-,6-,7+,8-,9-,10+,11-,12+/m1/s1
別名:Laminaribiose
定義日:2008-11-11
最終更新日:2020-07-17
識別子（ID）:3-O-beta-D-glucopyranosyl-beta-D-glucopyranose
S81
S81
表記:(1R,2R,3S,4R,6S)-4,6-diamino-2,3-dihydroxycyclohexyl 2,6-diamino-2,4,6-trideoxy-4-fluoro-alpha-D-glucopyranoside
組成式:C12 H25 F N4 O5
SMILES:C1(C(C(O)C(F)C(CN)O1)N)OC2C(C(O)C(N)CC2N)O
InChi:InChI=1S/C12H25FN4O5/c13-6-5(2-14)21-12(7(17)9(6)19)22-11-4(16)1-3(15)8(18)10(11)20/h3-12,18-20H,1-2,14-17H2/t3-,4+,5-,6-,7-,8+,9+,10-,11-,12-/m1/s1
別名:(1R,2R,3S,4R,6S)-4,6-diamino-2,3-dihydroxycyclohexyl 2,6-diamino-2,4,6-trideoxy-4-fluoro-alpha-D-glucoside
定義日:2015-06-17
最終更新日:2020-07-17
公開日:2016-06-22
識別子（ID）:(1R,2R,3S,4R,6S)-4,6-diamino-2,3-dihydroxycyclohexyl 2,6-diamino-2,4,6-trideoxy-4-fluoro-alpha-D-glucopyranoside
NBX
NBX
表記:N-{[(4-aminophenyl)carbonyl]carbamoyl}-beta-D-glucopyranosylamine
組成式:C14 H19 N3 O7
SMILES:O=C(NC1OC(C(O)C(O)C1O)CO)NC(=O)c2ccc(N)cc2
InChi:InChI=1S/C14H19N3O7/c15-7-3-1-6(2-4-7)12(22)16-14(23)17-13-11(21)10(20)9(19)8(5-18)24-13/h1-4,8-11,13,18-21H,5,15H2,(H2,16,17,22,23)/t8-,9-,10+,11-,13-/m1/s1
別名:N-{[(4-aminophenyl)carbonyl]carbamoyl}-beta-D-glucosylamine
定義日:2008-02-13
最終更新日:2020-07-17
識別子（ID）:N-{[(4-aminophenyl)carbonyl]carbamoyl}-beta-D-glucopyranosylamine
NBY
NBY
表記:N-{[(4-nitrophenyl)carbonyl]carbamoyl}-beta-D-glucopyranosylamine
組成式:C14 H17 N3 O9
SMILES:O=C(NC1OC(C(O)C(O)C1O)CO)NC(=O)c2ccc([N+]([O-])=O)cc2
InChi:InChI=1S/C14H17N3O9/c18-5-8-9(19)10(20)11(21)13(26-8)16-14(23)15-12(22)6-1-3-7(4-2-6)17(24)25/h1-4,8-11,13,18-21H,5H2,(H2,15,16,22,23)/t8-,9-,10+,11-,13-/m1/s1
別名:N-{[(4-nitrophenyl)carbonyl]carbamoyl}-beta-D-glucosylamine
定義日:2008-02-13
最終更新日:2020-07-17
識別子（ID）:N-{[(4-nitrophenyl)carbonyl]carbamoyl}-beta-D-glucopyranosylamine
LBS
LBS
表記:6-O-beta-D-fructofuranosyl-beta-D-fructofuranose
組成式:C12 H22 O11
SMILES:O2C(COC1(OC(C(O)C1O)CO)CO)C(O)C(O)C2(O)CO
InChi:InChI=1S/C12H22O11/c13-1-5-7(16)10(19)12(4-15,23-5)21-2-6-8(17)9(18)11(20,3-14)22-6/h5-10,13-20H,1-4H2/t5-,6-,7-,8-,9+,10+,11-,12-/m1/s1
定義日:2012-06-15
最終更新日:2020-07-17
識別子（ID）:6-O-beta-D-fructofuranosyl-beta-D-fructofuranose
LBT
LBT
表記:ALPHA-LACTOSE
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
定義日:2004-07-13
最終更新日:2020-07-17
識別子（ID）:4-O-beta-D-galactopyranosyl-alpha-D-glucopyranose

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