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PDB ウェブページステータス検索化合物検索: 35455 件 BIRD

20X

20X
表記:	N-({(2E)-2-[(4-fluorophenyl)methylidene]hydrazino}carbonothioyl)-beta-D-glucopyranosylamine
組成式:	C14 H18 F N3 O5 S
SMILES:	S=C(NC1OC(C(O)C(O)C1O)CO)N/N=C/c2ccc(F)cc2
InChi:	InChI=1S/C14H18FN3O5S/c15-8-3-1-7(2-4-8)5-16-18-14(24)17-13-12(22)11(21)10(20)9(6-19)23-13/h1-5,9-13,19-22H,6H2,(H2,17,18,24)/b16-5+/t9-,10-,11+,12-,13-/m1/s1
別名:	4-fluorobenzaldehyde-4-(beta-D-glucopyranosyl)-thiosemicarbazone
定義日:	2010-04-30
最終更新日:	2020-07-17
識別子（ID）:	N-{[(2E)-2-(4-fluorobenzylidene)hydrazinyl]carbothioyl}-beta-D-glucopyranosylamine

22O

22O
表記:	N-({(2E)-2-[(3-bromophenyl)methylidene]hydrazino}carbonothioyl)-beta-D-glucopyranosylamine
組成式:	C14 H18 Br N3 O5 S
SMILES:	S=C(NC1OC(C(O)C(O)C1O)CO)N/N=C/c2cccc(Br)c2
InChi:	InChI=1S/C14H18BrN3O5S/c15-8-3-1-2-7(4-8)5-16-18-14(24)17-13-12(22)11(21)10(20)9(6-19)23-13/h1-5,9-13,19-22H,6H2,(H2,17,18,24)/b16-5+/t9-,10-,11+,12-,13-/m1/s1
別名:	3-bromobenzaldehyde-4-(beta-D-glucopyranosyl) thiosemicarbazone
定義日:	2010-05-03
最終更新日:	2020-07-17
識別子（ID）:	N-{[(2E)-2-(3-bromobenzylidene)hydrazinyl]carbothioyl}-beta-D-glucopyranosylamine

22S

22S
表記:	N-({(2E)-2-[(2-chlorophenyl)methylidene]hydrazino}carbonothioyl)-beta-D-glucopyranosylamine
組成式:	C14 H18 Cl N3 O5 S
SMILES:	S=C(NC1OC(C(O)C(O)C1O)CO)N/N=C/c2ccccc2Cl
InChi:	InChI=1S/C14H18ClN3O5S/c15-8-4-2-1-3-7(8)5-16-18-14(24)17-13-12(22)11(21)10(20)9(6-19)23-13/h1-5,9-13,19-22H,6H2,(H2,17,18,24)/b16-5+/t9-,10-,11+,12-,13-/m1/s1
別名:	2-chlorobenzaldehyde-4-(beta-D-glucopyranosyl) thiosemicarbazone
定義日:	2010-04-30
最終更新日:	2020-07-17
識別子（ID）:	N-{[(2E)-2-(2-chlorobenzylidene)hydrazinyl]carbothioyl}-beta-D-glucopyranosylamine

23V

23V
表記:	N-({(2E)-2-[(3-chlorophenyl)methylidene]hydrazino}carbonothioyl)-beta-D-glucopyranosylamine
組成式:	C14 H18 Cl N3 O5 S
SMILES:	S=C(NC1OC(C(O)C(O)C1O)CO)N/N=C/c2cccc(Cl)c2
InChi:	InChI=1S/C14H18ClN3O5S/c15-8-3-1-2-7(4-8)5-16-18-14(24)17-13-12(22)11(21)10(20)9(6-19)23-13/h1-5,9-13,19-22H,6H2,(H2,17,18,24)/b16-5+/t9-,10-,11+,12-,13-/m1/s1
別名:	3-chlorobenzaldehyde-4-(beta-D-glucopyranosyl) thiosemicarbazone
定義日:	2010-05-03
最終更新日:	2020-07-17
識別子（ID）:	N-{[(2E)-2-(3-chlorobenzylidene)hydrazinyl]carbothioyl}-beta-D-glucopyranosylamine

ONN

ONN
表記:	2-[2-[[[(4~{R},8~{S},11~{S})-11-azanyl-8-[(4-hydroxyphenyl)methyl]-6,10-bis(oxidanylidene)-1,2-dithia-5,9-diazacyclotridec-4-yl]carbonylamino]methyl]phenyl]ethanoic acid
組成式:	C26 H32 N4 O6 S2
SMILES:	N[CH]1CCSSC[CH](NC(=O)C[CH](Cc2ccc(O)cc2)NC1=O)C(=O)NCc3ccccc3CC(O)=O
InChi:	InChI=1S/C26H32N4O6S2/c27-21-9-10-37-38-15-22(26(36)28-14-18-4-2-1-3-17(18)12-24(33)34)30-23(32)13-19(29-25(21)35)11-16-5-7-20(31)8-6-16/h1-8,19,21-22,31H,9-15,27H2,(H,28,36)(H,29,35)(H,30,32)(H,33,34)/t19-,21-,22-/m0/s1
定義日:	2020-03-21
最終更新日:	2020-07-17
公開日:	2020-07-22
識別子（ID）:	2-[2-[[[(4~{R},8~{S},11~{S})-11-azanyl-8-[(4-hydroxyphenyl)methyl]-6,10-bis(oxidanylidene)-1,2-dithia-5,9-diazacyclotridec-4-yl]carbonylamino]methyl]phenyl]ethanoic acid

24S

24S
表記:	N-({(2Z)-2-[(2-nitrophenyl)methylidene]hydrazino}carbonothioyl)-beta-D-glucopyranosylamine
組成式:	C14 H18 N4 O7 S
SMILES:	S=C(NC1OC(C(O)C(O)C1O)CO)N/N=Cc2ccccc2[N+]([O-])=O
InChi:	InChI=1S/C14H18N4O7S/c19-6-9-10(20)11(21)12(22)13(25-9)16-14(26)17-15-5-7-3-1-2-4-8(7)18(23)24/h1-5,9-13,19-22H,6H2,(H2,16,17,26)/b15-5-/t9-,10-,11+,12-,13-/m1/s1
別名:	2-nitrobenzaldehyde-4-(beta-D-glucopyranosyl) thiosemicarbazone
定義日:	2010-05-03
最終更新日:	2020-07-17
識別子（ID）:	N-{[(2Z)-2-(2-nitrobenzylidene)hydrazinyl]carbothioyl}-beta-D-glucopyranosylamine

25E

25E
表記:	N-({(2Z)-2-[(4-hydroxyphenyl)methylidene]hydrazino}carbonothioyl)-beta-D-glucopyranosylamine
組成式:	C14 H19 N3 O6 S
SMILES:	S=C(NC1OC(C(O)C(O)C1O)CO)N/N=Cc2ccc(O)cc2
InChi:	InChI=1S/C14H19N3O6S/c18-6-9-10(20)11(21)12(22)13(23-9)16-14(24)17-15-5-7-1-3-8(19)4-2-7/h1-5,9-13,18-22H,6H2,(H2,16,17,24)/b15-5-/t9-,10-,11+,12-,13-/m1/s1
別名:	4-hydroxybenzaldehyde-4-(beta-D-glucopyranosyl) thiosemicarbazone
定義日:	2010-05-03
最終更新日:	2020-07-17
識別子（ID）:	N-{[(2Z)-2-(4-hydroxybenzylidene)hydrazinyl]carbothioyl}-beta-D-glucopyranosylamine

OPM

OPM
表記:	pentyl alpha-D-mannopyranoside
組成式:	C11 H22 O6
SMILES:	O(CCCCC)C1OC(C(O)C(O)C1O)CO
InChi:	InChI=1S/C11H22O6/c1-2-3-4-5-16-11-10(15)9(14)8(13)7(6-12)17-11/h7-15H,2-6H2,1H3/t7-,8-,9+,10+,11+/m1/s1
別名:	O1-PENTYL-MANNOSE
定義日:	2002-07-10
最終更新日:	2020-07-17
識別子（ID）:	pentyl alpha-D-mannopyranoside

26O

26O
表記:	N-({(2E)-2-[(2-hydroxyphenyl)methylidene]hydrazino}carbonothioyl)-beta-D-glucopyranosylamine
組成式:	C14 H19 N3 O6 S
SMILES:	S=C(NC1OC(C(O)C(O)C1O)CO)N/N=C/c2ccccc2O
InChi:	InChI=1S/C14H19N3O6S/c18-6-9-10(20)11(21)12(22)13(23-9)16-14(24)17-15-5-7-3-1-2-4-8(7)19/h1-5,9-13,18-22H,6H2,(H2,16,17,24)/b15-5+/t9-,10-,11+,12-,13-/m1/s1
別名:	2-hydroxybenzaldehyde-4-(beta-D-glucopyranosyl) thiosemicarbazone
定義日:	2010-06-07
最終更新日:	2020-07-17
識別子（ID）:	N-{[(2E)-2-(2-hydroxybenzylidene)hydrazinyl]carbothioyl}-beta-D-glucopyranosylamine

27C

27C
表記:	5-O-[(S)-butoxy(hydroxy)phosphoryl]-2-deoxy-2-fluoro-alpha-D-arabinofuranose
組成式:	C9 H18 F O7 P
SMILES:	FC1C(O)C(OC1O)COP(=O)(OCCCC)O
InChi:	InChI=1S/C9H18FO7P/c1-2-3-4-15-18(13,14)16-5-6-8(11)7(10)9(12)17-6/h6-9,11-12H,2-5H2,1H3,(H,13,14)/t6-,7+,8-,9+/m1/s1
別名:	Inhibitor CZ-27 based on arabinosyl-2-fluoro-2-deoxynicotinamide mononucleotide, bound form
定義日:	2011-05-11
最終更新日:	2020-07-17
識別子（ID）:	5-O-[(S)-butoxy(hydroxy)phosphoryl]-2-deoxy-2-fluoro-alpha-D-arabinofuranose

OSU

OSU
表記:	N-OCTANOYLSUCROSE
組成式:	C20 H36 O12
SMILES:	O=C(OCC2OC(OC1OC(CO)C(O)C(O)C1O)(C(O)C2O)CO)CCCCCCC
InChi:	InChI=1S/C20H36O12/c1-2-3-4-5-6-7-13(23)29-9-12-15(25)18(28)20(10-22,31-12)32-19-17(27)16(26)14(24)11(8-21)30-19/h11-12,14-19,21-22,24-28H,2-10H2,1H3/t11-,12-,14-,15-,16+,17-,18+,19-,20+/m1/s1
別名:	N-OCTANOYL-B-D-FRUCTOFURANOSYL-A-D-GLUCOPYRANOSIDE
定義日:	2003-07-14
最終更新日:	2020-07-17
識別子（ID）:	6-O-octanoyl-beta-D-fructofuranosyl alpha-D-glucopyranoside

OTG

OTG
表記:	2-deoxy-2-{[(2-methylphenyl)carbonyl]amino}-alpha-D-glucopyranose
組成式:	C14 H19 N O6
SMILES:	O=C(NC1C(O)C(O)C(OC1O)CO)c2ccccc2C
InChi:	InChI=1S/C14H19NO6/c1-7-4-2-3-5-8(7)13(19)15-10-12(18)11(17)9(6-16)21-14(10)20/h2-5,9-12,14,16-18,20H,6H2,1H3,(H,15,19)/t9-,10-,11-,12-,14+/m1/s1
別名:	ORTHO-TOLUOYLGLUCOSAMINE
定義日:	1999-07-08
最終更新日:	2020-07-17
識別子（ID）:	2-deoxy-2-{[(2-methylphenyl)carbonyl]amino}-alpha-D-glucopyranose

OTN

OTN
表記:	2-nitrophenyl 1-thio-beta-D-galactopyranoside
組成式:	C12 H15 N O7 S
SMILES:	[O-][N+](=O)c2c(SC1OC(C(O)C(O)C1O)CO)cccc2
InChi:	InChI=1S/C12H15NO7S/c14-5-7-9(15)10(16)11(17)12(20-7)21-8-4-2-1-3-6(8)13(18)19/h1-4,7,9-12,14-17H,5H2/t7-,9+,10+,11-,12+/m1/s1
別名:	(2R,3R,4S,5R,6S)-2-(hydroxymethyl)-6-(2-nitrophenyl)sulfanyl-oxane-3,4,5-triol
定義日:	2014-02-19
最終更新日:	2020-07-17
公開日:	2014-03-05
識別子（ID）:	2-nitrophenyl 1-thio-beta-D-galactopyranoside

OTU

OTU
表記:	3-O-alpha-D-glucopyranosyl-D-fructose
組成式:	C12 H22 O11
SMILES:	O=C(C(OC1OC(C(O)C(O)C1O)CO)C(O)C(O)CO)CO
InChi:	InChI=1S/C12H22O11/c13-1-4(16)7(18)11(5(17)2-14)23-12-10(21)9(20)8(19)6(3-15)22-12/h4,6-16,18-21H,1-3H2/t4-,6-,7-,8-,9+,10-,11-,12-/m1/s1
別名:	3-O-alpha-D-glucosyl-D-fructose
定義日:	2011-11-01
最終更新日:	2020-07-17
識別子（ID）:	3-O-alpha-D-glucopyranosyl-D-fructose

289

289
表記:	D-glycero-alpha-D-manno-heptopyranose
組成式:	C7 H14 O7
SMILES:	OC1C(O)C(OC(O)C1O)C(O)CO
InChi:	InChI=1S/C7H14O7/c8-1-2(9)6-4(11)3(10)5(12)7(13)14-6/h2-13H,1H2/t2-,3+,4+,5+,6-,7+/m1/s1
別名:	D-glycero-alpha-D-manno-heptose
定義日:	2007-11-09
最終更新日:	2020-07-17
識別子（ID）:	D-glycero-alpha-D-manno-heptopyranose

291

291
表記:	prop-2-en-1-yl 7-O-carbamoyl-L-glycero-alpha-D-manno-heptopyranoside
組成式:	C11 H19 N O8
SMILES:	O=C(OCC(O)C1OC(OC/C=C)C(O)C(O)C1O)N
InChi:	InChI=1S/C11H19NO8/c1-2-3-18-10-8(16)6(14)7(15)9(20-10)5(13)4-19-11(12)17/h2,5-10,13-16H,1,3-4H2,(H2,12,17)/t5-,6-,7-,8-,9+,10-/m0/s1
別名:	prop-2-en-1-yl 7-O-carbamoyl-L-glycero-alpha-D-manno-heptoside
定義日:	2007-11-09
最終更新日:	2020-07-17
識別子（ID）:	prop-2-en-1-yl 7-O-carbamoyl-L-glycero-alpha-D-manno-heptopyranoside

293

293
表記:	2-deoxy-beta-L-galacto-heptopyranose
組成式:	C7 H14 O6
SMILES:	OC1C(OC(O)CC1O)C(O)CO
InChi:	InChI=1S/C7H14O6/c8-2-4(10)7-6(12)3(9)1-5(11)13-7/h3-12H,1-2H2/t3-,4+,5+,6+,7-/m1/s1
別名:	(2S,4R,5S,6R)-6-((S)-1,2-dihydroxyethyl)tetrahydro-2H-pyran-2,4,5-triol
定義日:	2007-11-09
最終更新日:	2020-07-17
識別子（ID）:	2-deoxy-beta-L-galacto-heptopyranose

OWD

OWD
表記:	{4-[(6-chloroquinoxalin-2-yl)oxy]phenyl}acetic acid
組成式:	C16 H11 Cl N2 O3
SMILES:	c2(cnc1cc(Cl)ccc1n2)Oc3ccc(CC(O)=O)cc3
InChi:	InChI=1S/C16H11ClN2O3/c17-11-3-6-13-14(8-11)18-9-15(19-13)22-12-4-1-10(2-5-12)7-16(20)21/h1-6,8-9H,7H2,(H,20,21)
定義日:	2019-07-12
最終更新日:	2020-07-17
公開日:	2020-07-22
識別子（ID）:	{4-[(6-chloroquinoxalin-2-yl)oxy]phenyl}acetic acid

OWN

OWN
表記:	methyl 4-(cyclopropylmethyl)-1-prop-2-enoyl-2,3-dihydroquinoxaline-6-carboxylate
組成式:	C17 H20 N2 O3
SMILES:	COC(=O)c1ccc2N(CCN(CC3CC3)c2c1)C(=O)C=C
InChi:	InChI=1S/C17H20N2O3/c1-3-16(20)19-9-8-18(11-12-4-5-12)15-10-13(17(21)22-2)6-7-14(15)19/h3,6-7,10,12H,1,4-5,8-9,11H2,2H3
定義日:	2020-04-06
最終更新日:	2020-07-17
公開日:	2020-07-22
識別子（ID）:	methyl 4-(cyclopropylmethyl)-1-prop-2-enoyl-2,3-dihydroquinoxaline-6-carboxylate

GBH

GBH
表記:	2-{4-[2-(beta-D-glucopyranosyloxy)ethyl]piperazin-1-yl}ethanesulfonic acid
組成式:	C14 H28 N2 O9 S
SMILES:	O=S(=O)(O)CCN2CCN(CCOC1OC(C(O)C(O)C1O)CO)CC2
InChi:	InChI=1S/C14H28N2O9S/c17-9-10-11(18)12(19)13(20)14(25-10)24-7-5-15-1-3-16(4-2-15)6-8-26(21,22)23/h10-14,17-20H,1-9H2,(H,21,22,23)/t10-,11-,12+,13-,14-/m1/s1
別名:	2-{4-[2-(beta-D-glucosyloxy)ethyl]piperazin-1-yl}ethanesulfonic acid
定義日:	2011-10-20
最終更新日:	2020-07-17
識別子（ID）:	2-{4-[2-(beta-D-glucopyranosyloxy)ethyl]piperazin-1-yl}ethanesulfonic acid

GC1

GC1
表記:	2,6-anhydro-L-gulonic acid
組成式:	C6 H10 O6
SMILES:	O=C(O)C1OCC(O)C(O)C1O
InChi:	InChI=1S/C6H10O6/c7-2-1-12-5(6(10)11)4(9)3(2)8/h2-5,7-9H,1H2,(H,10,11)/t2-,3+,4-,5-/m0/s1
別名:	1-deoxy-D-glucuronic acid
定義日:	2007-03-21
最終更新日:	2020-07-17
識別子（ID）:	2,6-anhydro-L-gulonic acid

GC4

GC4
表記:	4-deoxy-beta-D-glucopyranuronic acid
組成式:	C6 H10 O6
SMILES:	O=C(O)C1OC(O)C(O)C(O)C1
InChi:	InChI=1S/C6H10O6/c7-2-1-3(5(9)10)12-6(11)4(2)8/h2-4,6-8,11H,1H2,(H,9,10)/t2-,3-,4+,6+/m0/s1
別名:	4-DEOXY-D-GLUCURONIC ACID
定義日:	1999-11-08
最終更新日:	2020-07-17
識別子（ID）:	4-deoxy-beta-D-xylo-hexopyranuronic acid

GC9

GC9
表記:	2,6-anhydro-3,5-dideoxy-5-[(hydroxyacetyl)amino]-D-glycero-L-altro-non-2-enonic acid
組成式:	C11 H17 N O9
SMILES:	C1(C=C(C(O)=O)OC(C1NC(CO)=O)C(C(O)CO)O)O
InChi:	InChI=1S/C11H17NO9/c13-2-5(16)9(18)10-8(12-7(17)3-14)4(15)1-6(21-10)11(19)20/h1,4-5,8-10,13-16,18H,2-3H2,(H,12,17)(H,19,20)/t4-,5+,8+,9-,10+/m0/s1
定義日:	2018-11-05
最終更新日:	2020-07-17
公開日:	2019-10-02
識別子（ID）:	2,6-anhydro-3,5-dideoxy-5-[(hydroxyacetyl)amino]-D-glycero-L-altro-non-2-enonic acid

GCB

GCB
表記:	(2S,3S,4S,5R)-3,4,5-trihydroxy-6-oxo-oxane-2-carboxylic acid
組成式:	C6 H8 O7
SMILES:	O=C1OC(C(=O)O)C(O)C(O)C1O
InChi:	InChI=1S/C6H8O7/c7-1-2(8)4(5(10)11)13-6(12)3(1)9/h1-4,7-9H,(H,10,11)/t1-,2-,3+,4-/m0/s1
別名:	D-GLUCARO-1,5-LACTONE
定義日:	2002-02-15
最終更新日:	2020-07-17
公開日:	2018-02-07
識別子（ID）:	(2S,3S,4S,5R)-3,4,5-trihydroxy-6-oxotetrahydro-2H-pyran-2-carboxylic acid (non-preferred name)

GCD

GCD
表記:	4-deoxy-alpha-L-threo-hex-4-enopyranuronic acid
組成式:	C6 H8 O6
SMILES:	O=C(O)C=1OC(O)C(O)C(O)C=1
InChi:	InChI=1S/C6H8O6/c7-2-1-3(5(9)10)12-6(11)4(2)8/h1-2,4,6-8,11H,(H,9,10)/t2-,4+,6+/m0/s1
別名:	4,5-DEHYDRO-D-GLUCURONIC ACID
定義日:	2000-12-14
最終更新日:	2020-07-17
識別子（ID）:	4-deoxy-alpha-L-threo-hex-4-enopyranuronic acid

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