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PDB ウェブページステータス検索化合物検索: 39836 件 BIRD

ASO

ASO
表記:	1,5-anhydro-D-glucitol
組成式:	C6 H12 O5
SMILES:	OC1C(OCC(O)C1O)CO
InChi:	InChI=1S/C6H12O5/c7-1-4-6(10)5(9)3(8)2-11-4/h3-10H,1-2H2/t3-,4+,5+,6+/m0/s1
別名:	1,5-ANHYDROSORBITOL
定義日:	1999-07-08
最終更新日:	2020-07-17
識別子（ID）:	1,5-anhydro-D-glucitol

DFR

DFR
表記:	3-deoxy-3-methyl-beta-D-fructofuranose
組成式:	C7 H14 O5
SMILES:	OCC1(O)OC(C(O)C1C)CO
InChi:	InChI=1S/C7H14O5/c1-4-6(10)5(2-8)12-7(4,11)3-9/h4-6,8-11H,2-3H2,1H3/t4-,5+,6-,7+/m0/s1
別名:	3-DEOXY-3-METHYL-D-FRUCTOSE
定義日:	1999-07-08
最終更新日:	2020-07-17
識別子（ID）:	3-deoxy-3-methyl-beta-D-fructofuranose

DFX

DFX
表記:	1,5-anhydro-2-deoxy-2-fluoro-D-xylitol
組成式:	C5 H9 F O3
SMILES:	FC1COCC(O)C1O
InChi:	InChI=1S/C5H9FO3/c6-3-1-9-2-4(7)5(3)8/h3-5,7-8H,1-2H2/t3-,4+,5+/m0/s1
別名:	1,2-DEOXY-2-FLUORO-XYLOPYRANOSE
定義日:	1999-07-08
最終更新日:	2020-07-17
識別子（ID）:	1,5-anhydro-2-deoxy-2-fluoro-D-xylitol

DGO

DGO
表記:	D-glucal
組成式:	C6 H10 O4
SMILES:	C=1OC(C(C(C=1)O)O)CO
InChi:	InChI=1S/C6H10O4/c7-3-5-6(9)4(8)1-2-10-5/h1-2,4-9H,3H2/t4-,5-,6+/m1/s1
定義日:	2016-01-14
最終更新日:	2020-07-17
公開日:	2016-07-27
識別子（ID）:	1,5-anhydro-2-deoxy-D-arabino-hex-1-enitol

DGS

DGS
表記:	3,6-anhydro-2-O-sulfo-alpha-D-galactopyranose
組成式:	C6 H10 O8 S
SMILES:	O=S(=O)(O)OC1C2OCC(OC1O)C2O
InChi:	InChI=1S/C6H10O8S/c7-3-2-1-12-4(3)5(6(8)13-2)14-15(9,10)11/h2-8H,1H2,(H,9,10,11)/t2-,3+,4+,5-,6+/m1/s1
別名:	3,6-ANHYDRO-D-GALACTOSE-2-SULFATE
定義日:	2001-01-24
最終更新日:	2020-07-17
識別子（ID）:	3,6-anhydro-2-O-sulfo-alpha-D-galactopyranose

DGU

DGU
表記:	D-galacturonic acid
組成式:	C6 H10 O7
SMILES:	O=C(O)C(O)C(O)C(O)C(O)C=O
InChi:	InChI=1S/C6H10O7/c7-1-2(8)3(9)4(10)5(11)6(12)13/h1-5,8-11H,(H,12,13)/t2-,3+,4+,5-/m0/s1
別名:	D-Galacturonate
定義日:	2011-03-23
最終更新日:	2020-07-17
識別子（ID）:	D-galacturonic acid

4GL

4GL
表記:	alpha-D-gulopyranose
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+/m1/s1
別名:	alpha-D-gulose
定義日:	2011-08-18
最終更新日:	2020-07-17
公開日:	2020-07-29
識別子（ID）:	alpha-D-gulopyranose

4GP

4GP
表記:	N-(carboxycarbonyl)-beta-D-glucopyranosylamine
組成式:	C8 H13 N O8
SMILES:	O=C(NC1OC(C(O)C(O)C1O)CO)C(=O)O
InChi:	InChI=1S/C8H13NO8/c10-1-2-3(11)4(12)5(13)7(17-2)9-6(14)8(15)16/h2-5,7,10-13H,1H2,(H,9,14)(H,15,16)/t2-,3-,4+,5-,7-/m1/s1
別名:	N-(BETA-D-GLUCOPYRANOSYL)OXAMIC ACID
定義日:	2006-01-24
最終更新日:	2020-07-17
識別子（ID）:	N-(carboxycarbonyl)-beta-D-glucopyranosylamine

DJB

DJB
表記:	3-O-acetyl-2-acetamido-2-deoxy-alpha-D-galactopyranuronic acid
組成式:	C10 H15 N O8
SMILES:	CC(=O)N[CH]1[CH](O)O[CH]([CH](O)[CH]1OC(C)=O)C(O)=O
InChi:	InChI=1S/C10H15NO8/c1-3(12)11-5-7(18-4(2)13)6(14)8(9(15)16)19-10(5)17/h5-8,10,14,17H,1-2H3,(H,11,12)(H,15,16)/t5-,6-,7-,8+,10+/m1/s1
別名:	alpha-D-2-N-acetyl-3-O-acetylgalactosaminuronic acid
定義日:	2018-01-18
最終更新日:	2020-07-17
公開日:	2018-05-02
識別子（ID）:	(2~{S},3~{R},4~{R},5~{R},6~{S})-5-acetamido-4-acetyloxy-3,6-bis(oxidanyl)oxane-2-carboxylic acid

DJE

DJE
表記:	2-acetamido-2-deoxy-alpha-D-galactopyranuronic acid
組成式:	C8 H13 N O7
SMILES:	CC(=O)N[CH]1[CH](O)O[CH]([CH](O)[CH]1O)C(O)=O
InChi:	InChI=1S/C8H13NO7/c1-2(10)9-3-4(11)5(12)6(7(13)14)16-8(3)15/h3-6,8,11-12,15H,1H3,(H,9,10)(H,13,14)/t3-,4-,5-,6+,8+/m1/s1
別名:	alpha-D-2-N-acetylgalactosaminuronic acid
定義日:	2018-01-18
最終更新日:	2020-07-17
公開日:	2018-05-02
識別子（ID）:	(2~{S},3~{R},4~{R},5~{R},6~{S})-5-acetamido-3,4,6-tris(oxidanyl)oxane-2-carboxylic acid

DK0

DK0
表記:	(2~{R})-1-phenylpropan-2-ol
組成式:	C9 H12 O
SMILES:	C[CH](O)Cc1ccccc1
InChi:	InChI=1S/C9H12O/c1-8(10)7-9-5-3-2-4-6-9/h2-6,8,10H,7H2,1H3/t8-/m1/s1
定義日:	2019-08-06
最終更新日:	2020-07-17
公開日:	2020-07-22
識別子（ID）:	(2~{R})-1-phenylpropan-2-ol

4JA

4JA
表記:	(2S)-3-[(6-deoxy-beta-D-glucopyranosyl)oxy]-2-hydroxypropyl dihydrogen phosphate
組成式:	C9 H19 O10 P
SMILES:	P(OCC(COC1OC(C(O)C(O)C1O)C)O)(=O)(O)O
InChi:	InChI=1S/C9H19O10P/c1-4-6(11)7(12)8(13)9(19-4)17-2-5(10)3-18-20(14,15)16/h4-13H,2-3H2,1H3,(H2,14,15,16)/t4-,5+,6-,7+,8-,9-/m1/s1
別名:	(2S)-3-[(6-deoxy-beta-D-glucosyl)oxy]-2-hydroxypropyl dihydrogen phosphate
定義日:	2015-11-23
最終更新日:	2020-07-17
公開日:	2016-08-31
識別子（ID）:	(2S)-3-[(6-deoxy-beta-D-glucopyranosyl)oxy]-2-hydroxypropyl dihydrogen phosphate

DK4

DK4
表記:	1-(3-deoxy-3-fluoro-beta-D-glucopyranosyl)-5-fluoropyrimidine-2,4(1H,3H)-dione
組成式:	C10 H12 F2 N2 O6
SMILES:	OC[CH]1O[CH]([CH](O)[CH](F)[CH]1O)N2C=C(F)C(=O)NC2=O
InChi:	InChI=1S/C10H12F2N2O6/c11-3-1-14(10(19)13-8(3)18)9-7(17)5(12)6(16)4(2-15)20-9/h1,4-7,9,15-17H,2H2,(H,13,18,19)/t4-,5+,6-,7-,9-/m1/s1
別名:	1-(3-deoxy-3-fluoro-beta-D-glucosyl)-5-fluoropyrimidine-2,4(1H,3H)-dione
定義日:	2010-01-13
最終更新日:	2020-07-17
識別子（ID）:	5-fluoro-1-[(2R,3S,4S,5R,6R)-4-fluoro-3,5-dihydroxy-6-(hydroxymethyl)oxan-2-yl]pyrimidine-2,4-dione

DKX

DKX
表記:	1-(3-deoxy-3-fluoro-beta-D-glucopyranosyl)pyrimidine-2,4(1H,3H)-dione
組成式:	C10 H13 F N2 O6
SMILES:	OC[CH]1O[CH]([CH](O)[CH](F)[CH]1O)N2C=CC(=O)NC2=O
InChi:	InChI=1S/C10H13FN2O6/c11-6-7(16)4(3-14)19-9(8(6)17)13-2-1-5(15)12-10(13)18/h1-2,4,6-9,14,16-17H,3H2,(H,12,15,18)/t4-,6+,7-,8-,9-/m1/s1
別名:	1-(3-deoxy-3-fluoro-beta-D-glucosyl)pyrimidine-2,4(1H,3H)-dione
定義日:	2010-01-11
最終更新日:	2020-07-17
識別子（ID）:	1-[(2R,3S,4S,5R,6R)-4-fluoro-3,5-dihydroxy-6-(hydroxymethyl)oxan-2-yl]pyrimidine-2,4-dione

DKZ

DKZ
表記:	4-amino-1-(3-deoxy-3-fluoro-beta-D-glucopyranosyl)pyrimidin-2(1H)-one
組成式:	C10 H14 F N3 O5
SMILES:	NC1=NC(=O)N(C=C1)[CH]2O[CH](CO)[CH](O)[CH](F)[CH]2O
InChi:	InChI=1S/C10H14FN3O5/c11-6-7(16)4(3-15)19-9(8(6)17)14-2-1-5(12)13-10(14)18/h1-2,4,6-9,15-17H,3H2,(H2,12,13,18)/t4-,6+,7-,8-,9-/m1/s1
別名:	4-amino-1-(3-deoxy-3-fluoro-beta-D-glucosyl)pyrimidin-2(1H)-one
定義日:	2010-01-12
最終更新日:	2020-07-17
識別子（ID）:	4-azanyl-1-[(2R,3S,4S,5R,6R)-4-fluoro-3,5-dihydroxy-6-(hydroxymethyl)oxan-2-yl]pyrimidin-2-one

DL6

DL6
表記:	N-(azidoacetyl)-beta-D-glucopyranosylamine
組成式:	C8 H14 N4 O6
SMILES:	O=C(NC1OC(C(O)C(O)C1O)CO)C/N=[N+]=[N-]
InChi:	InChI=1S/C8H14N4O6/c9-12-10-1-4(14)11-8-7(17)6(16)5(15)3(2-13)18-8/h3,5-8,13,15-17H,1-2H2,(H,11,14)/t3-,5-,6+,7-,8-/m1/s1
別名:	2-AZIDO-N-((2R,3R,4S,5S,6R)-3,4,5-TRIHYDROXY-6-(HYDROXYMETHYL)-TETRAHYDRO-2H-PYRAN-2-YL)ACETAMIDE
定義日:	2006-01-10
最終更新日:	2020-07-17
識別子（ID）:	N-(azidoacetyl)-beta-D-glucopyranosylamine

T68

T68
表記:	N-[(pyridin-2-ylcarbonyl)carbamoyl]-beta-D-glucopyranosylamine
組成式:	C13 H17 N3 O7
SMILES:	O=C(NC1OC(C(O)C(O)C1O)CO)NC(=O)c2ncccc2
InChi:	InChI=1S/C13H17N3O7/c17-5-7-8(18)9(19)10(20)12(23-7)16-13(22)15-11(21)6-3-1-2-4-14-6/h1-4,7-10,12,17-20H,5H2,(H2,15,16,21,22)/t7-,8-,9+,10-,12-/m1/s1
別名:	N-[(pyridin-2-ylcarbonyl)carbamoyl]-beta-D-glucosylamine
定義日:	2012-11-22
最終更新日:	2020-07-17
公開日:	2013-12-11
識別子（ID）:	N-[(pyridin-2-ylcarbonyl)carbamoyl]-beta-D-glucopyranosylamine

T6D

T6D
表記:	alpha-D-glucopyranosyl 6-O-decanoyl-alpha-D-glucopyranoside
組成式:	C22 H40 O12
SMILES:	C1(C(C(O)C(C(O1)COC(CCCCCCCCC)=O)O)O)OC2C(C(C(C(CO)O2)O)O)O
InChi:	InChI=1S/C22H40O12/c1-2-3-4-5-6-7-8-9-14(24)31-11-13-16(26)18(28)20(30)22(33-13)34-21-19(29)17(27)15(25)12(10-23)32-21/h12-13,15-23,25-30H,2-11H2,1H3/t12-,13-,15-,16-,17+,18+,19-,20-,21-,22-/m1/s1
別名:	trehalose 6-decanoate
定義日:	2018-10-02
最終更新日:	2020-07-17
公開日:	2019-09-18
識別子（ID）:	alpha-D-glucopyranosyl 6-O-decanoyl-alpha-D-glucopyranoside

T6P

T6P
表記:	Trehalose-6-phosphate
組成式:	C12 H23 O14 P
SMILES:	O=P(O)(O)OCC2OC(OC1OC(CO)C(O)C(O)C1O)C(O)C(O)C2O
InChi:	InChI=1S/C12H23O14P/c13-1-3-5(14)7(16)9(18)11(24-3)26-12-10(19)8(17)6(15)4(25-12)2-23-27(20,21)22/h3-19H,1-2H2,(H2,20,21,22)/t3-,4-,5-,6-,7+,8+,9-,10-,11-,12-/m1/s1
別名:	6-O-phosphono-alpha-D-glucopyranosyl alpha-D-glucopyranoside
定義日:	1999-08-20
最終更新日:	2020-07-17
識別子（ID）:	6-O-phosphono-alpha-D-glucopyranosyl alpha-D-glucopyranoside

T6T

T6T
表記:	alpha-D-tagatopyranose
組成式:	C6 H12 O6
SMILES:	OC1C(OCC(C1O)O)(CO)O
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+/m1/s1
別名:	alpha-D-tagatose
定義日:	2015-07-13
最終更新日:	2020-07-17
公開日:	2015-07-22
識別子（ID）:	alpha-D-tagatopyranose

4N2

4N2
表記:	beta-L-idopyranose
組成式:	C6 H12 O6
SMILES:	C1(OC(C(C(C1O)O)O)CO)O
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:	beta-L-idose
定義日:	2016-03-21
最終更新日:	2020-07-17
公開日:	2016-06-08
識別子（ID）:	beta-L-idopyranose

4NN

4NN
表記:	N-[(5S,6R)-5-hydroxy-6-(hydroxymethyl)-2-oxo-5,6-dihydro-2H-pyran-3-yl]acetamide
組成式:	C8 H11 N O5
SMILES:	O=C1OC(CO)C(O)C=C1NC(=O)C
InChi:	InChI=1S/C8H11NO5/c1-4(11)9-5-2-6(12)7(3-10)14-8(5)13/h2,6-7,10,12H,3H2,1H3,(H,9,11)/t6-,7+/m0/s1
定義日:	2011-06-08
最終更新日:	2020-07-17
識別子（ID）:	N-[(5S,6R)-5-hydroxy-6-(hydroxymethyl)-2-oxo-5,6-dihydro-2H-pyran-3-yl]acetamide (non-preferred name)

TA6

TA6
表記:	6-O-phosphono-beta-D-tagatofuranose
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:	6-O-phosphono-beta-D-tagatose
定義日:	2006-03-24
最終更新日:	2020-07-17
識別子（ID）:	6-O-phosphono-beta-D-tagatofuranose

4QY

4QY
表記:	2-acetamido-2-deoxy-6-O-phosphono-beta-D-glucopyranose
組成式:	C8 H16 N O9 P
SMILES:	C1(NC(C)=O)C(OC(C(C1O)O)COP(=O)(O)O)O
InChi:	InChI=1S/C8H16NO9P/c1-3(10)9-5-7(12)6(11)4(18-8(5)13)2-17-19(14,15)16/h4-8,11-13H,2H2,1H3,(H,9,10)(H2,14,15,16)/t4-,5-,6-,7-,8-/m1/s1
別名:	beta-N-acetylglucosamine-6-phosphate
定義日:	2015-05-13
最終更新日:	2020-07-17
公開日:	2016-06-08
識別子（ID）:	2-(acetylamino)-2-deoxy-6-O-phosphono-beta-D-glucopyranose

4R1

4R1
表記:	2-amino-2-deoxy-6-O-phosphono-beta-D-glucopyranose
組成式:	C6 H14 N O8 P
SMILES:	C1(C(C(O)C(COP(O)(O)=O)OC1O)O)N
InChi:	InChI=1S/C6H14NO8P/c7-3-5(9)4(8)2(15-6(3)10)1-14-16(11,12)13/h2-6,8-10H,1,7H2,(H2,11,12,13)/t2-,3-,4-,5-,6-/m1/s1
別名:	beta-glucosamine-6-phosphate
定義日:	2015-05-13
最終更新日:	2020-07-17
公開日:	2016-06-08
識別子（ID）:	2-amino-2-deoxy-6-O-phosphono-beta-D-glucopyranose

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