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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
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
8EX
8EX
表記:2-acetamido-2-deoxy-4,6-di-O-sulfo-beta-D-galactopyranose
組成式:C8 H15 N O12 S2
SMILES:CC(=O)N[CH]1[CH](O)O[CH](CO[S](O)(=O)=O)[CH](O[S](O)(=O)=O)[CH]1O
InChi:InChI=1S/C8H15NO12S2/c1-3(10)9-5-6(11)7(21-23(16,17)18)4(20-8(5)12)2-19-22(13,14)15/h4-8,11-12H,2H2,1H3,(H,9,10)(H,13,14,15)(H,16,17,18)/t4-,5-,6-,7+,8-/m1/s1
別名:[(2R,3R,4R,5R,6R)-5-acetamido-4,6-bis(oxidanyl)-2-(sulfooxymethyl)oxan-3-yl] hydrogen sulfate
定義日:2017-06-22
最終更新日:2020-07-17
公開日:2018-01-17
識別子（ID）:[(2~{R},3~{R},4~{R},5~{R},6~{R})-5-acetamido-4,6-bis(oxidanyl)-2-(sulfooxymethyl)oxan-3-yl] hydrogen sulfate
8GP
8GP
表記:N-[(cyclopropylamino)(oxo)acetyl]-beta-D-glucopyranosylamine
組成式:C11 H18 N2 O7
SMILES:O=C(NC1OC(C(O)C(O)C1O)CO)C(=O)NC2CC2
InChi:InChI=1S/C11H18N2O7/c14-3-5-6(15)7(16)8(17)11(20-5)13-10(19)9(18)12-4-1-2-4/h4-8,11,14-17H,1-3H2,(H,12,18)(H,13,19)/t5-,6-,7+,8-,11-/m1/s1
別名:N-(BETA-D-GLUCOPYRANOSYL)-N'-CYCLOPROPYL OXALAMIDE
定義日:2006-01-25
最終更新日:2020-07-17
識別子（ID）:N-[(cyclopropylamino)(oxo)acetyl]-beta-D-glucopyranosylamine
8LM
8LM
表記:2,6-anhydro-3,5-dideoxy-5-[(2-methylpropanoyl)amino]-3-(4-phenyl-1H-1,2,3-triazol-1-yl)-D-glycero-D-galacto-non-2-enoni c acid
組成式:C21 H26 N4 O8
SMILES:C(=O)(NC1C(O)C(=C(C(O)=O)OC1C(C(CO)O)O)n3cc(c2ccccc2)nn3)C(C)C
InChi:InChI=1S/C21H26N4O8/c1-10(2)20(30)22-14-17(29)15(19(21(31)32)33-18(14)16(28)13(27)9-26)25-8-12(23-24-25)11-6-4-3-5-7-11/h3-8,10,13-14,16-18,26-29H,9H2,1-2H3,(H,22,30)(H,31,32)/t13-,14-,16-,17-,18-/m1/s1
定義日:2017-02-15
最終更新日:2020-07-17
公開日:2018-06-27
識別子（ID）:2,6-anhydro-3,5-dideoxy-5-[(2-methylpropanoyl)amino]-3-(4-phenyl-1H-1,2,3-triazol-1-yl)-D-glycero-D-galacto-non-2-enoni c acid
8LR
8LR
表記:2-hydroxyethyl alpha-D-mannopyranoside
組成式:C8 H16 O7
SMILES:O(CCO)C1OC(C(O)C(O)C1O)CO
InChi:InChI=1S/C8H16O7/c9-1-2-14-8-7(13)6(12)5(11)4(3-10)15-8/h4-13H,1-3H2/t4-,5-,6+,7+,8+/m1/s1
別名:2-hydroxyethyl alpha-D-mannoside
定義日:2014-04-22
最終更新日:2020-07-17
公開日:2015-04-22
識別子（ID）:2-hydroxyethyl alpha-D-mannopyranoside
P6P
P6P
表記:6-O-phosphono-alpha-D-fructofuranose
組成式:C6 H13 O9 P
SMILES:O=P(O)(O)OCC1OC(O)(CO)C(O)C1O
InChi:InChI=1S/C6H13O9P/c7-2-6(10)5(9)4(8)3(15-6)1-14-16(11,12)13/h3-5,7-10H,1-2H2,(H2,11,12,13)/t3-,4-,5+,6+/m1/s1
別名:alpha fructose-6-phosphate
定義日:2009-08-17
最終更新日:2020-07-17
識別子（ID）:6-O-phosphono-alpha-D-fructofuranose
8PK
8PK
表記:4-O-[(1R)-1-hydroxyethyl]-2-O-methyl-alpha-L-fucopyranose
組成式:C9 H18 O6
SMILES:CO[CH]1[CH](O)O[CH](C)[CH](O[CH](C)O)[CH]1O
InChi:InChI=1S/C9H18O6/c1-4-7(15-5(2)10)6(11)8(13-3)9(12)14-4/h4-12H,1-3H3/t4-,5+,6+,7+,8-,9+/m0/s1
別名:2-O-methyl, 4-O-Acetyl-alpha-L-fucosepyranose
定義日:2017-02-18
最終更新日:2020-07-17
公開日:2017-03-22
識別子（ID）:(2~{R},3~{S},4~{R},5~{S},6~{S})-3-methoxy-6-methyl-5-[(1~{R})-1-oxidanylethoxy]oxane-2,4-diol
AF1
AF1
表記:4,6-dideoxy-4-{[(1S,4S,5S,6S)-4,5,6-trihydroxy-3-(hydroxymethyl)cyclohex-2-en-1-yl]amino}-beta-D-glucopyranose
組成式:C13 H23 N O8
SMILES:OC2C(NC1C=C(CO)C(O)C(O)C1O)C(OC(O)C2O)C
InChi:InChI=1S/C13H23NO8/c1-4-7(10(18)12(20)13(21)22-4)14-6-2-5(3-15)8(16)11(19)9(6)17/h2,4,6-21H,3H2,1H3/t4-,6+,7-,8?,9+,10+,11+,12-,13-/m1/s1
別名:4,6-dideoxy-4-{[(1S,4S,5S,6S)-4,5,6-trihydroxy-3-(hydroxymethyl)cyclohex-2-en-1-yl]amino}-beta-D-glucose
定義日:1999-07-08
最終更新日:2020-07-17
識別子（ID）:4,6-dideoxy-4-{[(1S,4S,5S,6S)-4,5,6-trihydroxy-3-(hydroxymethyl)cyclohex-2-en-1-yl]amino}-beta-D-glucopyranose
AFO
AFO
表記:octyl alpha-D-arabinofuranoside
組成式:C13 H26 O5
SMILES:O(CCCCCCCC)C1OC(C(O)C1O)CO
InChi:InChI=1S/C13H26O5/c1-2-3-4-5-6-7-8-17-13-12(16)11(15)10(9-14)18-13/h10-16H,2-9H2,1H3/t10-,11-,12+,13+/m1/s1
別名:octyl alpha-D-arabinoside
定義日:2010-12-06
最終更新日:2020-07-17
識別子（ID）:octyl alpha-D-arabinofuranoside
AFP
AFP
表記:1,6-di-O-phosphono-alpha-D-fructofuranose
組成式:C6 H14 O12 P2
SMILES:O=P(O)(O)OCC1OC(O)(COP(=O)(O)O)C(O)C1O
InChi:InChI=1S/C6H14O12P2/c7-4-3(1-16-19(10,11)12)18-6(9,5(4)8)2-17-20(13,14)15/h3-5,7-9H,1-2H2,(H2,10,11,12)(H2,13,14,15)/t3-,4-,5+,6+/m1/s1
別名:ALPHA FRUCTOSE 1,6-DIPHOSPHATE
定義日:1999-07-08
最終更新日:2020-07-17
識別子（ID）:1,6-di-O-phosphono-alpha-D-fructofuranose
AGR
AGR
表記:[(2R,3S,4S,5S)-2,5-bis(hydroxymethyl)-5-[(2R,3R,4R,5R,6R)-6-(hydroxymethyl)-3,4,5-tris(oxidanyl)oxan-2-yl]oxy-4-oxidany l-oxolan-3-yl] [(2R,3R,4S,5S)-2,4,5-tris(oxidanyl)oxan-3-yl] hydrogen phosphate
組成式:C17 H31 O18 P
SMILES:O=P(OC1C(O)C(O)COC1O)(OC3C(OC(OC2OC(CO)C(O)C(O)C2O)(CO)C3O)CO)O
InChi:InChI=1S/C17H31O18P/c18-1-6-9(23)10(24)11(25)16(31-6)33-17(4-20)14(26)12(7(2-19)32-17)34-36(28,29)35-13-8(22)5(21)3-30-15(13)27/h5-16,18-27H,1-4H2,(H,28,29)/t5-,6+,7+,8-,9-,10+,11+,12+,13+,14-,15+,16+,17-/m0/s1
別名:agrocinopine A
定義日:2014-03-12
最終更新日:2020-07-17
公開日:2015-08-19
識別子（ID）:(2R,3S,4S,5S)-4-hydroxy-2,5-bis(hydroxymethyl)-5-{[(2R,3R,4R,5R,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)tetrahydro-2H-pyran-2-yl]oxy}tetrahydrofuran-3-yl (2R,3R,4S,5S)-2,4,5-trihydroxytetrahydro-2H-pyran-3-yl hydrogen (R)-phosphate (non-preferred name)
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

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