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ISL
ISL
表記:6-O-alpha-D-glucopyranosyl-D-fructose
組成式:C12 H22 O11
SMILES:O=C(CO)C(O)C(O)C(O)COC1OC(C(O)C(O)C1O)CO
InChi:InChI=1S/C12H22O11/c13-1-4(15)7(17)8(18)5(16)3-22-12-11(21)10(20)9(19)6(2-14)23-12/h5-14,16-21H,1-3H2/t5-,6-,7-,8-,9-,10+,11-,12+/m1/s1
別名:6-O-alpha-D-glucosyl-D-fructose
定義日:2012-10-03
最終更新日:2020-07-17
公開日:2013-09-25
識別子（ID）:6-O-alpha-D-glucopyranosyl-D-fructose
V01
V01
表記:N-cyclopropyl-3-oxo-N-({4-[(pyrimidin-4-yl)carbamoyl]phenyl}methyl)-3,4-dihydro-2H-1,4-benzoxazine-7-carboxamide
組成式:C24 H21 N5 O4
SMILES:O=C1Nc2c(OC1)cc(cc2)C(=O)N(Cc3ccc(cc3)C(Nc4ncncc4)=O)C5CC5
InChi:InChI=1S/C24H21N5O4/c30-22-13-33-20-11-17(5-8-19(20)27-22)24(32)29(18-6-7-18)12-15-1-3-16(4-2-15)23(31)28-21-9-10-25-14-26-21/h1-5,8-11,14,18H,6-7,12-13H2,(H,27,30)(H,25,26,28,31)
定義日:2020-06-09
最終更新日:2020-07-17
公開日:2020-07-22
識別子（ID）:N-cyclopropyl-3-oxo-N-({4-[(pyrimidin-4-yl)carbamoyl]phenyl}methyl)-3,4-dihydro-2H-1,4-benzoxazine-7-carboxamide
VG1
VG1
表記:ALPHA-D-GLUCOSE-1-PHOSPHATE-6-VANADATE
組成式:C6 H13 O12 P V
SMILES:O=P(OC1OC(C(O)C(O)C1O)CO[V](=O)(=O)O)(O)O
InChi:InChI=1S/C6H12O9P.H2O.2O.V/c7-1-2-3(8)4(9)5(10)6(14-2)15-16(11,12)13
定義日:1999-08-24
最終更新日:2020-07-17
識別子（ID）:hydroxy(dioxo)(1-O-phosphono-alpha-D-glucopyranosato-kappaO~6~)vanadium
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
Z5L
Z5L
表記:methyl 2-thio-alpha-D-mannopyranoside
組成式:C7 H14 O5 S
SMILES:SC1C(O)C(O)C(OC1OC)CO
InChi:InChI=1S/C7H14O5S/c1-11-7-6(13)5(10)4(9)3(2-8)12-7/h3-10,13H,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 2-thio-alpha-D-mannopyranoside
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
SZZ
SZZ
表記:Sinigrin
組成式:C10 H17 N O9 S2
SMILES:OC[CH]1O[CH](SC(CC=C)=NO[S](O)(=O)=O)[CH](O)[CH](O)[CH]1O
InChi:InChI=1S/C10H17NO9S2/c1-2-3-6(11-20-22(16,17)18)21-10-9(15)8(14)7(13)5(4-12)19-10/h2,5,7-10,12-15H,1,3-4H2,(H,16,17,18)/b11-6+/t5-,7-,8+,9-,10+/m1/s1
定義日:2016-11-16
最終更新日:2020-07-17
公開日:2017-07-05
識別子（ID）:[(2~{S},3~{R},4~{S},5~{S},6~{R})-6-(hydroxymethyl)-3,4,5-tris(oxidanyl)oxan-2-yl] (1~{E})-~{N}-sulfooxybut-3-enimidothioate
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
Z61
Z61
表記:2-deoxy-alpha-D-arabino-hexopyranose
組成式:C6 H12 O5
SMILES:OC1C(OC(O)CC1O)CO
InChi:InChI=1S/C6H12O5/c7-2-4-6(10)3(8)1-5(9)11-4/h3-10H,1-2H2/t3-,4-,5+,6+/m1/s1
別名:2-deoxy-alpha-D-glucopyranose
定義日:2012-12-18
最終更新日:2020-07-17
公開日:2020-07-29
識別子（ID）:2-deoxy-alpha-D-arabino-hexopyranose
TEU
TEU
表記:1-O-alpha-D-glucopyranosyl-D-fructose
組成式:C12 H22 O11
SMILES:O=C(COC1OC(C(O)C(O)C1O)CO)C(O)C(O)C(O)CO
InChi:InChI=1S/C12H22O11/c13-1-4(15)7(17)8(18)5(16)3-22-12-11(21)10(20)9(19)6(2-14)23-12/h4,6-15,17-21H,1-3H2/t4-,6-,7-,8-,9-,10+,11-,12+/m1/s1
別名:1-O-alpha-D-glucosyl-D-fructose
定義日:2012-10-04
最終更新日:2020-07-17
公開日:2013-09-25
識別子（ID）:1-O-alpha-D-glucopyranosyl-D-fructose
ULV
ULV
表記:4-{8-amino-3-[(6R,8aS)-3-oxohexahydro-3H-[1,3]oxazolo[3,4-a]pyridin-6-yl]imidazo[1,5-a]pyrazin-1-yl}-N-[4-(trifluoromethyl)pyridin-2-yl]benzamide
組成式:C26 H22 F3 N7 O3
SMILES:n1c(c2c(nc(n2cc1)C3CCC4N(C3)C(OC4)=O)c6ccc(C(=O)Nc5nccc(C(F)(F)F)c5)cc6)N
InChi:InChI=1S/C26H22F3N7O3/c27-26(28,29)17-7-8-31-19(11-17)33-24(37)15-3-1-14(2-4-15)20-21-22(30)32-9-10-35(21)23(34-20)16-5-6-18-13-39-25(38)36(18)12-16/h1-4,7-11,16,18H,5-6,12-13H2,(H2,30,32)(H,31,33,37)/t16-,18+/m1/s1
定義日:2020-05-22
最終更新日:2020-07-17
公開日:2020-07-22
識別子（ID）:4-{8-amino-3-[(6R,8aS)-3-oxohexahydro-3H-[1,3]oxazolo[3,4-a]pyridin-6-yl]imidazo[1,5-a]pyrazin-1-yl}-N-[4-(trifluoromethyl)pyridin-2-yl]benzamide
ULY
ULY
表記:4-{8-amino-3-[(6R,8aS)-3-oxo-3,5,6,7,8,8a-hexahydroindolizin-6-yl]imidazo[1,5-a]pyrazin-1-yl}-3-methoxy-N-[4-(trifluoromethyl)pyridin-2-yl]benzamide
組成式:C28 H26 F3 N7 O3
SMILES:n1ccn2c(c1N)c(nc2C3CN4C(CC3)CCC4=O)c5ccc(cc5OC)C(Nc6nccc(c6)C(F)(F)F)=O
InChi:InChI=1S/C28H26F3N7O3/c1-41-20-12-15(27(40)35-21-13-17(8-9-33-21)28(29,30)31)3-6-19(20)23-24-25(32)34-10-11-37(24)26(36-23)16-2-4-18-5-7-22(39)38(18)14-16/h3,6,8-13,16,18H,2,4-5,7,14H2,1H3,(H2,32,34)(H,33,35,40)/t16-,18+/m1/s1
定義日:2020-05-22
最終更新日:2020-07-17
公開日:2020-07-22
識別子（ID）:4-{8-amino-3-[(6R,8aS)-3-oxooctahydroindolizin-6-yl]imidazo[1,5-a]pyrazin-1-yl}-3-methoxy-N-[4-(trifluoromethyl)pyridin-2-yl]benzamide
TF0
TF0
表記:2-(acetylamino)-2-deoxy-3-O-beta-D-galactopyranosyl-alpha-D-galactopyranose
組成式:C14 H25 N O11
SMILES:C2(O)C(OC1C(NC(C)=O)C(OC(C1O)CO)O)OC(CO)C(C2O)O
InChi:InChI=1S/C14H25NO11/c1-4(18)15-7-12(9(20)6(3-17)24-13(7)23)26-14-11(22)10(21)8(19)5(2-16)25-14/h5-14,16-17,19-23H,2-3H2,1H3,(H,15,18)/t5-,6-,7-,8+,9+,10+,11-,12-,13+,14+/m1/s1
別名:TF antigen
定義日:2017-08-17
最終更新日:2020-07-17
公開日:2018-02-28
識別子（ID）:2-(acetylamino)-2-deoxy-3-O-beta-D-galactopyranosyl-alpha-D-galactopyranose
Z6H
Z6H
表記:alpha-L-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+/m0/s1
別名:alpha-L-altrose
定義日:2012-12-17
最終更新日:2020-07-17
公開日:2019-05-15
識別子（ID）:alpha-L-altropyranose
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
UM4
UM4
表記:4-{8-amino-3-[(6R,8aS)-3-oxooctahydroindolizin-6-yl]imidazo[1,5-a]pyrazin-1-yl}-3-(cyclopropyloxy)-N-[4-(trifluoromethyl)pyridin-2-yl]benzamide
組成式:C30 H28 F3 N7 O3
SMILES:n1c(c2c(nc(n2cc1)C3CCC4N(C3)C(CC4)=O)c6ccc(C(Nc5nccc(C(F)(F)F)c5)=O)cc6OC7CC7)N
InChi:InChI=1S/C30H28F3N7O3/c31-30(32,33)18-9-10-35-23(14-18)37-29(42)16-2-7-21(22(13-16)43-20-5-6-20)25-26-27(34)36-11-12-39(26)28(38-25)17-1-3-19-4-8-24(41)40(19)15-17/h2,7,9-14,17,19-20H,1,3-6,8,15H2,(H2,34,36)(H,35,37,42)/t17-,19+/m1/s1
定義日:2020-05-22
最終更新日:2020-07-17
公開日:2020-07-22
識別子（ID）:4-{8-amino-3-[(6R,8aS)-3-oxooctahydroindolizin-6-yl]imidazo[1,5-a]pyrazin-1-yl}-3-(cyclopropyloxy)-N-[4-(trifluoromethyl)pyridin-2-yl]benzamide
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
40J
40J
表記:1,6-dichloro-1,6-dideoxy-beta-D-fructofuranosyl 4-chloro-4-deoxy-alpha-D-galactopyranoside
組成式:C12 H19 Cl3 O8
SMILES:ClC2C(OC(OC1(OC(C(O)C1O)CCl)CCl)C(O)C2O)CO
InChi:InChI=1S/C12H19Cl3O8/c13-1-4-7(17)10(20)12(3-14,22-4)23-11-9(19)8(18)6(15)5(2-16)21-11/h4-11,16-20H,1-3H2/t4-,5-,6+,7-,8+,9-,10+,11-,12+/m1/s1
別名:sucralose
定義日:2015-01-02
最終更新日:2020-07-17
公開日:2015-12-23
識別子（ID）:1,6-dichloro-1,6-dideoxy-beta-D-fructofuranosyl 4-chloro-4-deoxy-alpha-D-galactopyranoside
TTZ
TTZ
表記:N-[(3aS,4R,5S,6S,6aS)-4,5,6-trihydroxy-4-(hydroxymethyl)-4,5,6,6a-tetrahydro-3aH-cyclopenta[d][1,3]thiazol-2-yl]-alpha- D-glucopyranosylamine
組成式:C13 H22 N2 O9 S
SMILES:OC2C(O)C(O)(C1N=C(SC12)NC3OC(CO)C(O)C(O)C3O)CO
InChi:InChI=1S/C13H22N2O9S/c16-1-3-4(18)5(19)6(20)11(24-3)15-12-14-9-8(25-12)7(21)10(22)13(9,23)2-17/h3-11,16-23H,1-2H2,(H,14,15)/t3-,4-,5+,6-,7-,8-,9-,10+,11+,13+/m1/s1
別名:N-[(3aS,4R,5S,6S,6aS)-4,5,6-trihydroxy-4-(hydroxymethyl)-4,5,6,6a-tetrahydro-3aH-cyclopenta[d][1,3]thiazol-2-yl]-alpha- D-glucosylamine
定義日:2007-02-07
最終更新日:2020-07-17
識別子（ID）:N-[(3aS,4R,5S,6S,6aS)-4,5,6-trihydroxy-4-(hydroxymethyl)-4,5,6,6a-tetrahydro-3aH-cyclopenta[d][1,3]thiazol-2-yl]-alpha- D-glucopyranosylamine
TU4
TU4
表記:3-O-octanoyl-alpha-D-glucopyranose
組成式:C14 H26 O7
SMILES:C(CCCCCCC)(OC1C(C(O)OC(C1O)CO)O)=O
InChi:InChI=1S/C14H26O7/c1-2-3-4-5-6-7-10(16)21-13-11(17)9(8-15)20-14(19)12(13)18/h9,11-15,17-19H,2-8H2,1H3/t9-,11-,12-,13+,14+/m1/s1
定義日:2020-03-31
最終更新日:2020-07-17
公開日:2020-07-29
識別子（ID）:3-O-octanoyl-alpha-D-glucopyranose
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
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
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)
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

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