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2GL
2GL
表記:4-O-acetyl-2,6-dideoxy-beta-D-galactopyranose
組成式:C8 H14 O5
SMILES:O=C(OC1C(OC(O)CC1O)C)C
InChi:InChI=1S/C8H14O5/c1-4-8(13-5(2)9)6(10)3-7(11)12-4/h4,6-8,10-11H,3H2,1-2H3/t4-,6-,7-,8+/m1/s1
別名:4-O-ACETYL-2,6-DIDEOXY-ALPHA-D-GALACTO-HEXOPYRANOSE
定義日:1999-07-08
最終更新日:2020-07-17
識別子（ID）:4-O-acetyl-2,6-dideoxy-beta-D-lyxo-hexopyranose
SN4
SN4
表記:6-methoxypyridine-3-carbothioamide
組成式:C7 H8 N2 O S
SMILES:COc1ccc(cn1)C(N)=S
InChi:InChI=1S/C7H8N2OS/c1-10-6-3-2-5(4-9-6)7(8)11/h2-4H,1H3,(H2,8,11)
定義日:2020-03-11
最終更新日:2020-07-17
公開日:2020-07-22
識別子（ID）:6-methoxypyridine-3-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
2GS
2GS
表記:2-O-methyl-alpha-D-galactopyranose
組成式:C7 H14 O6
SMILES:O(C)C1C(O)C(O)C(OC1O)CO
InChi:InChI=1S/C7H14O6/c1-12-6-5(10)4(9)3(2-8)13-7(6)11/h3-11H,2H2,1H3/t3-,4+,5+,6-,7+/m1/s1
別名:2-O-methyl-alpha-D-galactose
定義日:2006-09-26
最終更新日:2020-07-17
識別子（ID）:2-O-methyl-alpha-D-galactopyranose
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
2H5
2H5
表記:3-deoxy-3-fluoro-beta-D-galactopyranose
組成式:C6 H11 F O5
SMILES:FC1C(O)C(OC(O)C1O)CO
InChi:InChI=1S/C6H11FO5/c7-3-4(9)2(1-8)12-6(11)5(3)10/h2-6,8-11H,1H2/t2-,3+,4+,5-,6-/m1/s1
別名:3-deoxy-3-fluoro-beta-D-galactose
定義日:2013-10-18
最終更新日:2020-07-17
公開日:2014-02-05
識別子（ID）:3-deoxy-3-fluoro-beta-D-galactopyranose
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
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
NT1
NT1
表記:HEPARIN HEPTASACCHARIDE
組成式:C55 H98 O54 S6
SMILES:O=S(=O)(OCC7OCC(OS(=O)(=O)O)C(OC)C7OC6OC(C(O)O)C(OC5OC(C(OC4OC(C(OC3OC(COS(=O)(=O)O)C(OC2OC(COC)C(OC1OC(CC(OC)C1OC)COC)C(OC)C2OC)C(OC)C3OC)C(OC)C4OC)C(O)O)C(OS(=O)(=O)O)C5OS(=O)(=O)O)COS(=O)(=O)O)C(OC)C6OC)O
InChi:InChI=1S/C55H98O54S6/c1-78-15-21-14-22(80-3)33(82-5)50(95-21)100-30-24(16-79-2)96-51(43(87-10)34(30)83-6)101-31-25(19-93-111(63,64)65)97-52(44(88-11)35(31)84-7)103-38-36(85-8)46(90-13)54(106-41(38)48(56)57)102-32-26(20-94-112(66,67)68)98-55(47(109-115(75,76)77)40(32)108-114(72,73)74)104-39-37(86-9)45(89-12)53(105-42(39)49(58)59)99-29-23(18-92-110(60,61)62)91-17-27(28(29)81-4)107-113(69,70)71/h21-59H,14-20H2,1-13H3,(H,60,61,62)(H,63,64,65)(H,66,67,68)(H,69,70,71)(H,72,73,74)(H,75,76,77)/t21-,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+,50?,51-,52+,53+,54+,55+/m0/s1
定義日:2004-04-20
最終更新日:2020-07-17
識別子（ID）:[(2R,3R,4S,5S)-3-{[(2R,3R,4S,5S,6R)-6-(dihydroxymethyl)-5-({(2R,3R,4S,5R,6R)-5-{[(2R,3R,4S,5S,6S)-6-(dihydroxymethyl)-5-({(2R,3R,4S,5R,6R)-5-{[(2S,3R,4S,5R,6R)-5-{[(2R,3R,4S,6S)-3,4-dimethoxy-6-(methoxymethyl)tetrahydro-2H-pyran-2-yl]oxy}-3,4-dimethoxy-6-(methoxymethyl)tetrahydro-2H-pyran-2-yl]oxy}-3,4-dimethoxy-6-[(sulfooxy)methyl]tetrahydro-2H-pyran-2-yl}oxy)-3,4-dimethoxytetrahydro-2H-pyran-2-yl]oxy}-3,4-bis(sulfooxy)-6-[(sulfooxy)methyl]tetrahydro-2H-pyran-2-yl}oxy)-3,4-dimethoxytetrahydro-2H-pyran-2-yl]oxy}-4-methoxy-5-(sulfooxy)tetrahydro-2H-pyran-2-yl]methyl hydrogen sulfate (non-preferred name)
NTF
NTF
表記:N-(trifluoroacetyl)-beta-D-glucopyranosylamine
組成式:C8 H12 F3 N O6
SMILES:O=C(NC1OC(C(O)C(O)C1O)CO)C(F)(F)F
InChi:InChI=1S/C8H12F3NO6/c9-8(10,11)7(17)12-6-5(16)4(15)3(14)2(1-13)18-6/h2-6,13-16H,1H2,(H,12,17)/t2-,3-,4+,5-,6-/m1/s1
別名:N-TRIFLURO-ACETYL-BETA-D-GLUCOPYRANOSYLAMINE
定義日:2005-01-12
最終更新日:2020-07-17
識別子（ID）:N-(trifluoroacetyl)-beta-D-glucopyranosylamine
NTO
NTO
表記:TRISULFOAMINO HEPARIN PENTASACCHARIDE
組成式:C31 H53 N3 O49 S8
SMILES:O=S(=O)(O)NC5C(O)C(O)C(OC5OC1C(O)C(O)C(OC1C(=O)O)OC4C(OC(OC3C(O)C(OS(=O)(=O)O)C(OC2C(O)C(NS(=O)(=O)O)C(OC)OC2COS(=O)(=O)O)OC3C(=O)O)C(NS(=O)(=O)O)C4OS(=O)(=O)O)COS(=O)(=O)O)COS(=O)(=O)O
InChi:InChI=1S/C31H53N3O49S8/c1-69-27-9(33-85(48,49)50)13(37)17(6(74-27)3-71-88(57,58)59)76-31-22(83-91(66,67)68)16(40)21(24(81-31)26(43)44)79-29-10(34-86(51,52)53)19(82-90(63,64)65)18(7(75-29)4-72-89(60,61)62)77-30-15(39)14(38)20(23(80-30)25(41)42)78-28-8(32-84(45,46)47)12(36)11(35)5(73-28)2-70-87(54,55)56/h5-24,27-40H,2-4H2,1H3,(H,41,42)(H,43,44)(H,45,46,47)(H,48,49,50)(H,51,52,53)(H,54,55,56)(H,57,58,59)(H,60,61,62)(H,63,64,65)(H,66,67,68)/t5-,6-,7-,8-,9-,10-,11-,12-,13-,14-,15-,16+,17-,18-,19-,20+,21+,22-,23+,24-,27+,28-,29-,30-,31-/m1/s1
別名:Fondaparinux
定義日:2006-04-03
最終更新日:2020-07-17
識別子（ID）:methyl 2-deoxy-6-O-sulfo-2-(sulfoamino)-alpha-D-glucopyranosyl-(1->4)-beta-D-glucopyranuronosyl-(1->4)-2-deoxy-3,6-di-O-sulfo-2-(sulfoamino)-alpha-D-glucopyranosyl-(1->4)-2-O-sulfo-alpha-L-idopyranuronosyl-(1->4)-2-deoxy-6-O-sulfo-2-(sulfoamino)-alpha-D-glucopyranoside
NTP
NTP
表記:HEPARIN PENTASACCHARIDE
組成式:C36 H60 O55 S9
SMILES:O=S(=O)(OC5C(OC)C(OC)C(OC5OC1C(OC)C(OC)C(OC1C(=O)O)OC4C(OC(OC3C(OC)C(OS(=O)(=O)O)C(OC2C(OS(=O)(=O)O)C(OS(=O)(=O)O)C(OC)OC2COS(=O)(=O)O)OC3C(=O)O)C(OS(=O)(=O)O)C4OS(=O)(=O)O)COS(=O)(=O)O)COS(=O)(=O)O)O
InChi:InChI=1S/C36H60O55S9/c1-68-13-10(7-74-92(41,42)43)78-34(26(16(13)69-2)88-97(56,57)58)82-19-17(70-3)25(72-5)33(84-23(19)30(37)38)80-15-12(9-76-94(47,48)49)79-35(29(91-100(65,66)67)22(15)87-96(53,54)55)83-20-18(71-4)27(89-98(59,60)61)36(85-24(20)31(39)40)81-14-11(8-75-93(44,45)46)77-32(73-6)28(90-99(62,63)64)21(14)86-95(50,51)52/h10-29,32-36H,7-9H2,1-6H3,(H,37,38)(H,39,40)(H,41,42,43)(H,44,45,46)(H,47,48,49)(H,50,51,52)(H,53,54,55)(H,56,57,58)(H,59,60,61)(H,62,63,64)(H,65,66,67)/t10-,11-,12-,13-,14-,15-,16+,17+,18+,19+,20+,21+,22+,23+,24-,25-,26-,27-,28-,29-,32+,33-,34-,35-,36-/m1/s1
定義日:1999-07-08
最終更新日:2020-07-17
識別子（ID）:methyl 3,4-di-O-methyl-2,6-di-O-sulfo-alpha-D-glucopyranosyl-(1->4)-2,3-di-O-methyl-beta-D-glucopyranuronosyl-(1->4)-2,3,6-tri-O-sulfo-alpha-D-glucopyranosyl-(1->4)-3-O-methyl-2-O-sulfo-alpha-L-idopyranuronosyl-(1->4)-2,3,6-tri-O-sulfo-alpha-D-glucopyranoside
2M4
2M4
表記:2-O-alpha-D-mannopyranosyl-alpha-D-mannopyranose
組成式:C12 H22 O11
SMILES:O(C1C(O)OC(CO)C(O)C1O)C2OC(C(O)C(O)C2O)CO
InChi:InChI=1S/C12H22O11/c13-1-3-6(16)8(18)10(11(20)21-3)23-12-9(19)7(17)5(15)4(2-14)22-12/h3-20H,1-2H2/t3-,4-,5-,6-,7+,8+,9+,10+,11+,12-/m1/s1
定義日:2010-08-16
最終更新日:2020-07-17
識別子（ID）:2-O-alpha-D-mannopyranosyl-alpha-D-mannopyranose
2M5
2M5
表記:methyl 7-deoxy-L-glycero-alpha-D-manno-heptopyranoside
組成式:C8 H16 O6
SMILES:OC1C(O)C(O)C(OC1OC)C(O)C
InChi:InChI=1S/C8H16O6/c1-3(9)7-5(11)4(10)6(12)8(13-2)14-7/h3-12H,1-2H3/t3-,4-,5-,6-,7+,8-/m0/s1
別名:methyl 7-deoxy-L-glycero-alpha-D-manno-heptoside
定義日:2010-08-16
最終更新日:2020-07-17
識別子（ID）:methyl 7-deoxy-L-glycero-alpha-D-manno-heptopyranoside
2M8
2M8
表記:(2R)-3-hydroxy-2-(alpha-D-mannopyranosyloxy)propanoic acid
組成式:C9 H16 O9
SMILES:O=C(O)C(OC1OC(C(O)C(O)C1O)CO)CO
InChi:InChI=1S/C9H16O9/c10-1-3-5(12)6(13)7(14)9(17-3)18-4(2-11)8(15)16/h3-7,9-14H,1-2H2,(H,15,16)/t3-,4-,5-,6+,7+,9-/m1/s1
別名:2-O-ALPHA-MANNOSYL-D-GLYCERATE
定義日:2011-07-14
最終更新日:2020-07-17
識別子（ID）:(2R)-3-hydroxy-2-(alpha-D-mannopyranosyloxy)propanoic acid
NXD
NXD
表記:methyl 5-acetamido-9-{[amino(oxo)acetyl]amino}-3,5,9-trideoxy-D-glycero-alpha-D-galacto-non-2-ulopyranosidonic acid
組成式:C14 H23 N3 O10
SMILES:O=C(N)C(=O)NCC(O)C(O)C1OC(OC)(C(=O)O)CC(O)C1NC(=O)C
InChi:InChI=1S/C14H23N3O10/c1-5(18)17-8-6(19)3-14(26-2,13(24)25)27-10(8)9(21)7(20)4-16-12(23)11(15)22/h6-10,19-21H,3-4H2,1-2H3,(H2,15,22)(H,16,23)(H,17,18)(H,24,25)/t6-,7+,8+,9+,10+,14+/m0/s1
別名:METHYL 5-(ACETYLAMINO)-9-{[AMINO(OXO)ACETYL]AMINO}-3,5,9-TRIDEOXY-D-GLYCERO-ALPHA-D-GLUCO-NON-2-ULOPYRANOSIDONIC ACID
定義日:2006-02-28
最終更新日:2020-07-17
識別子（ID）:methyl 5-(acetylamino)-9-{[amino(oxo)acetyl]amino}-3,5,9-trideoxy-D-glycero-alpha-D-galacto-non-2-ulopyranosidonic acid
2OS
2OS
表記:3-N-OCTANOYLSUCROSE
組成式:C20 H36 O12
SMILES:O=C(OC1C(O)C(OC(CO)C1O)OC2(OC(C(O)C2O)CO)CO)CCCCCCC
InChi:InChI=1S/C20H36O12/c1-2-3-4-5-6-7-13(24)30-17-14(25)11(8-21)29-19(16(17)27)32-20(10-23)18(28)15(26)12(9-22)31-20/h11-12,14-19,21-23,25-28H,2-10H2,1H3/t11-,12-,14-,15-,16-,17+,18+,19-,20+/m1/s1
別名:3'-O-N-OCTANOYL-A-D-GLUCOPYRANOSYL-B-D-FRUCTOFURANOSIDE
定義日:2004-05-02
最終更新日:2020-07-17
識別子（ID）:beta-D-fructofuranosyl 3-O-octanoyl-alpha-D-glucopyranoside
NYT
NYT
表記:beta-D-fructofuranosyl-(2->1)-beta-D-fructofuranosyl-(2->1)-beta-D-fructofuranosyl alpha-D-glucopyranoside
組成式:C24 H42 O21
SMILES:OC[CH]1O[CH](O[C]2(CO[C]3(CO[C]4(CO)O[CH](CO)[CH](O)[CH]4O)O[CH](CO)[CH](O)[CH]3O)O[CH](CO)[CH](O)[CH]2O)[CH](O)[CH](O)[CH]1O
InChi:InChI=1S/C24H42O21/c25-1-8-12(30)16(34)17(35)21(41-8)45-24(20(38)15(33)11(4-28)44-24)7-40-23(19(37)14(32)10(3-27)43-23)6-39-22(5-29)18(36)13(31)9(2-26)42-22/h8-21,25-38H,1-7H2/t8-,9-,10-,11-,12-,13-,14-,15-,16+,17-,18+,19+,20+,21-,22-,23-,24+/m1/s1
別名:Nystose
定義日:2010-02-15
最終更新日:2020-07-17
識別子（ID）:(2R,3R,4S,5S,6R)-2-[(2S,3S,4S,5R)-2-[[(2R,3S,4S,5R)-2-[[(2R,3S,4S,5R)-3,4-dihydroxy-2,5-bis(hydroxymethyl)oxolan-2-yl]oxymethyl]-3,4-dihydroxy-5-(hydroxymethyl)oxolan-2-yl]oxymethyl]-3,4-dihydroxy-5-(hydroxymethyl)oxolan-2-yl]oxy-6-(hydroxymethyl)oxane-3,4,5-triol
O1G
O1G
表記:3-deoxy-3-[(E)-({3-hydroxy-2-methyl-5-[(phosphonooxy)methyl]pyridin-4-yl}methylidene)amino]-6-O-phosphono-alpha-D-gluco pyranose
組成式:C14 H22 N2 O13 P2
SMILES:O=P(O)(O)OCc1cnc(c(O)c1/C=N/C2C(O)C(OC(O)C2O)COP(=O)(O)O)C
InChi:InChI=1S/C14H22N2O13P2/c1-6-11(17)8(7(2-15-6)4-27-30(21,22)23)3-16-10-12(18)9(5-28-31(24,25)26)29-14(20)13(10)19/h2-3,9-10,12-14,17-20H,4-5H2,1H3,(H2,21,22,23)(H2,24,25,26)/b16-3+/t9-,10+,12-,13-,14+/m1/s1
別名:3-deoxy-3-[(E)-({3-hydroxy-2-methyl-5-[(phosphonooxy)methyl]pyridin-4-yl}methylidene)amino]-6-O-phosphono-alpha-D-gluco se
定義日:2013-04-10
最終更新日:2020-07-17
公開日:2013-10-16
識別子（ID）:3-deoxy-3-[(E)-({3-hydroxy-2-methyl-5-[(phosphonooxy)methyl]pyridin-4-yl}methylidene)amino]-6-O-phosphono-alpha-D-gluco pyranose

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件を2024-07-17に公開中

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