Chemie クエリの検索結果 - 日本蛋白質構造データバンク

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PDB ウェブページステータス検索化合物検索: 36426 件 BIRD

C4H

C4H
表記:	N-[4-({[5-(DIMETHYLAMINO)-1-NAPHTHYL]SULFONYL}AMINO)BUTYL]-3-SULFANYLPROPANAMIDE
組成式:	C19 H27 N3 O3 S2
SMILES:	O=C(NCCCCNS(=O)(=O)c1cccc2c1cccc2N(C)C)CCS
InChi:	InChI=1S/C19H27N3O3S2/c1-22(2)17-9-5-8-16-15(17)7-6-10-18(16)27(24,25)21-13-4-3-12-20-19(23)11-14-26/h5-10,21,26H,3-4,11-14H2,1-2H3,(H,20,23)
別名:	N-[2-(5-DIMETHYLAMINO-NAPHTHALENE-1-SULFONYLAMINO)BUTHYL]-3-MERCAPTOPROPIONAMIDE
定義日:	2005-03-18
最終更新日:	2021-03-01
識別子（ID）:	N-[4-({[5-(dimethylamino)naphthalen-1-yl]sulfonyl}amino)butyl]-3-sulfanylpropanamide

C4M

C4M
表記:	N-[(2R,3S)-3-AMINO-2-HYDROXY-4-PHENYLBUTYL]-4-METHOXY-2,3,6-TRIMETHYLBENZENESULFONAMIDE
組成式:	C20 H28 N2 O4 S
SMILES:	O=S(=O)(c1c(cc(OC)c(c1C)C)C)NCC(O)C(N)Cc2ccccc2
InChi:	InChI=1S/C20H28N2O4S/c1-13-10-19(26-4)14(2)15(3)20(13)27(24,25)22-12-18(23)17(21)11-16-8-6-5-7-9-16/h5-10,17-18,22-23H,11-12,21H2,1-4H3/t17-,18+/m0/s1
別名:	INHIBITOR OF THROMBIN
定義日:	2005-12-09
最終更新日:	2021-03-01
識別子（ID）:	N-[(2R,3S)-3-amino-2-hydroxy-4-phenylbutyl]-4-methoxy-2,3,6-trimethylbenzenesulfonamide

T7M

T7M
表記:	(2R)-1-(heptadecanoyloxy)-3-{[(R)-hydroxy{[(1R,2R,3R,4R,5S,6R)-2,3,5,6-tetrahydroxy-4-(phosphonooxy)cyclohexyl]oxy}phosphoryl]oxy}propan-2-yl (5Z,8Z,11Z,14Z)-icosa-5,8,11,14-tetraenoate
組成式:	C46 H82 O16 P2
SMILES:	O=C(OCC(OC(=O)CCCC=C/CC=C/CC=C/CC=C/CCCCC)COP(=O)(O)OC1C(O)C(O)C(OP(=O)(O)O)C(O)C1O)CCCCCCCCCCCCCCCC
InChi:	InChI=1S/C46H82O16P2/c1-3-5-7-9-11-13-15-17-19-20-21-23-25-27-29-31-33-35-40(48)60-38(36-58-39(47)34-32-30-28-26-24-22-18-16-14-12-10-8-6-4-2)37-59-64(56,57)62-46-43(51)41(49)45(42(50)44(46)52)61-63(53,54)55/h11,13,17,19,21,23,27,29,38,41-46,49-52H,3-10,12,14-16,18,20,22,24-26,28,30-37H2,1-2H3,(H,56,57)(H2,53,54,55)/b13-11-,19-17-,23-21-,29-27-/t38-,41-,42+,43-,44-,45+,46+/m1/s1
別名:	Phosphatidylinositol-4-phosphate
定義日:	2011-07-22
最終更新日:	2021-03-01
識別子（ID）:	(2R)-1-(heptadecanoyloxy)-3-{[(R)-hydroxy{[(1R,2R,3R,4R,5S,6R)-2,3,5,6-tetrahydroxy-4-(phosphonooxy)cyclohexyl]oxy}phosphoryl]oxy}propan-2-yl (5Z,8Z,11Z,14Z)-icosa-5,8,11,14-tetraenoate

C5R

C5R
表記:	(2S)-2-[[(1R,4aS,10aR)-1,4a-dimethyl-7-propan-2-yl-2,3,4,9,10,10a-hexahydrophenanthren-1-yl]carbonylamino]-3-(1H-indol-3-yl)propanoic acid
組成式:	C31 H38 N2 O3
SMILES:	CC(C)c1ccc2c(CC[CH]3[C](C)(CCC[C]23C)C(=O)N[CH](Cc4c[nH]c5ccccc45)C(O)=O)c1
InChi:	InChI=1S/C31H38N2O3/c1-19(2)20-10-12-24-21(16-20)11-13-27-30(24,3)14-7-15-31(27,4)29(36)33-26(28(34)35)17-22-18-32-25-9-6-5-8-23(22)25/h5-6,8-10,12,16,18-19,26-27,32H,7,11,13-15,17H2,1-4H3,(H,33,36)(H,34,35)/t26-,27+,30+,31+/m0/s1
別名:	N-Dehydroabietoyl-L-Tryptophan
定義日:	2019-04-10
最終更新日:	2021-03-01
公開日:	2020-03-18
識別子（ID）:	(2~{S})-2-[[(1~{R},4~{a}~{S},10~{a}~{R})-1,4~{a}-dimethyl-7-propan-2-yl-2,3,4,9,10,10~{a}-hexahydrophenanthren-1-yl]carbonylamino]-3-(1~{H}-indol-3-yl)propanoic acid

C6F

C6F
表記:	6-ethyl-3-[[3-methoxy-4-[4-(4-methylpiperazin-1-yl)piperidin-1-yl]phenyl]amino]-5-(oxan-4-ylamino)pyrazine-2-carboxamide
組成式:	C29 H44 N8 O3
SMILES:	CCc1nc(C(N)=O)c(Nc2ccc(N3CCC(CC3)N4CCN(C)CC4)c(OC)c2)nc1NC5CCOCC5
InChi:	InChI=1S/C29H44N8O3/c1-4-23-28(31-20-9-17-40-18-10-20)34-29(26(33-23)27(30)38)32-21-5-6-24(25(19-21)39-3)37-11-7-22(8-12-37)36-15-13-35(2)14-16-36/h5-6,19-20,22H,4,7-18H2,1-3H3,(H2,30,38)(H2,31,32,34)
別名:	gilteritinib
定義日:	2019-04-10
最終更新日:	2021-03-01
公開日:	2019-11-20
識別子（ID）:	6-ethyl-3-[[3-methoxy-4-[4-(4-methylpiperazin-1-yl)piperidin-1-yl]phenyl]amino]-5-(oxan-4-ylamino)pyrazine-2-carboxamide

C6P

C6P
表記:	N-({3-HYDROXY-2-METHYL-5-[(PHOSPHONOOXY)METHYL]PYRIDIN-4-YL}METHYL)-L-CYSTEINE
組成式:	C11 H17 N2 O7 P S
SMILES:	O=C(O)C(NCc1c(cnc(c1O)C)COP(=O)(O)O)CS
InChi:	InChI=1S/C11H17N2O7PS/c1-6-10(14)8(3-13-9(5-22)11(15)16)7(2-12-6)4-20-21(17,18)19/h2,9,13-14,22H,3-5H2,1H3,(H,15,16)(H2,17,18,19)/t9-/m0/s1
別名:	4-((1-CARBOXY-2-THIOL-ETHYLAMINO)-METHYL)-3-HYDROXY-2-METHYL-5-PHOSPHONOOXYMETHYL-PYRIDINIUM
定義日:	2006-09-22
最終更新日:	2021-03-01
識別子（ID）:	N-({3-hydroxy-2-methyl-5-[(phosphonooxy)methyl]pyridin-4-yl}methyl)-L-cysteine

T98

T98
表記:	5-(4,4-DIMETHYL-2-THIOXO-1,4-DIHYDRO-2H-3,1-BENZOXAZIN-6-YL)-1-METHYL-1H-PYRROLE-2-CARBONITRILE
組成式:	C16 H15 N3 O S
SMILES:	N#Cc3ccc(c1ccc2NC(=S)OC(c2c1)(C)C)n3C
InChi:	InChI=1S/C16H15N3OS/c1-16(2)12-8-10(4-6-13(12)18-15(21)20-16)14-7-5-11(9-17)19(14)3/h4-8H,1-3H3,(H,18,21)
別名:	TANAPROGET
定義日:	2005-06-17
最終更新日:	2021-03-01
識別子（ID）:	5-(4,4-dimethyl-2-thioxo-1,4-dihydro-2H-3,1-benzoxazin-6-yl)-1-methyl-1H-pyrrole-2-carbonitrile

C7G

C7G
表記:	[(2~{R},3~{S},4~{S},5~{S})-5-(6-aminopurin-9-yl)-4-[(2~{S},3~{S},4~{S},5~{S})-5-[[[[(2~{R},3~{R},4~{S},5~{S})-5-(6-aminopurin-9-yl)-3,4-bis(oxidanyl)oxolan-2-yl]methoxy-oxidanyl-phosphoryl]oxy-oxidanyl-phosphoryl]oxymethyl]-3,4-bis(oxidanyl)oxolan-2-yl]oxy-3-oxidanyl-oxolan-2-yl]methyl phosphono hydrogen phosphate
組成式:	C25 H36 N10 O23 P4
SMILES:	Nc1ncnc2n(cnc12)[CH]3O[CH](CO[P](O)(=O)O[P](O)(=O)OC[CH]4O[CH](O[CH]5[CH](O)[CH](CO[P](O)(=O)O[P](O)(O)=O)O[CH]5n6cnc7c(N)ncnc67)[CH](O)[CH]4O)[CH](O)[CH]3O
InChi:	InChI=1S/C25H36N10O23P4/c26-19-11-21(30-4-28-19)34(6-32-11)23-16(39)13(36)8(53-23)1-51-61(46,47)58-62(48,49)52-2-9-14(37)17(40)25(55-9)56-18-15(38)10(3-50-60(44,45)57-59(41,42)43)54-24(18)35-7-33-12-20(27)29-5-31-22(12)35/h4-10,13-18,23-25,36-40H,1-3H2,(H,44,45)(H,46,47)(H,48,49)(H2,26,28,30)(H2,27,29,31)(H2,41,42,43)/t8-,9+,10-,13+,14-,15+,16+,17+,18+,23+,24+,25+/m1/s1
別名:	DIADPR
定義日:	2017-09-15
最終更新日:	2021-03-01
公開日:	2019-01-09
識別子（ID）:	[(2~{R},3~{S},4~{S},5~{S})-5-(6-aminopurin-9-yl)-4-[(2~{S},3~{S},4~{S},5~{S})-5-[[[[(2~{R},3~{R},4~{S},5~{S})-5-(6-aminopurin-9-yl)-3,4-bis(oxidanyl)oxolan-2-yl]methoxy-oxidanyl-phosphoryl]oxy-oxidanyl-phosphoryl]oxymethyl]-3,4-bis(oxidanyl)oxolan-2-yl]oxy-3-oxidanyl-oxolan-2-yl]methyl phosphono hydrogen phosphate

C7H

C7H
表記:	4-(dibenzo[1,2-a:2',1'-d][7]annulen-11-ylidene)-1-methyl-piperidine
組成式:	C21 H21 N
SMILES:	CN1CCC(CC1)=C2c3ccccc3C=Cc4ccccc24
InChi:	InChI=1S/C21H21N/c1-22-14-12-18(13-15-22)21-19-8-4-2-6-16(19)10-11-17-7-3-5-9-20(17)21/h2-11H,12-15H2,1H3
別名:	Cyproheptadine
定義日:	2015-08-25
最終更新日:	2021-03-01
公開日:	2016-04-27
識別子（ID）:	4-(dibenzo[1,2-a:2',1'-d][7]annulen-11-ylidene)-1-methyl-piperidine

C7R

C7R
表記:	2'-deoxy-5'-O-thiophosphonocytidine
組成式:	C9 H14 N3 O6 P S
SMILES:	P(S)(O)(OCC1OC(CC1O)N2C=CC(=NC2=O)N)=O
InChi:	InChI=1S/C9H14N3O6PS/c10-7-1-2-12(9(14)11-7)8-3-5(13)6(18-8)4-17-19(15,16)20/h1-2,5-6,8,13H,3-4H2,(H2,10,11,14)(H2,15,16,20)/t5-,6+,8+/m0/s1
別名:	2'-deoxy-5'-O-thiophosphonocytidine (thiophospho connection isoform 1)
定義日:	2016-04-28
最終更新日:	2021-03-01
公開日:	2016-06-22
識別子（ID）:	2'-deoxy-5'-O-thiophosphonocytidine

C7S

C7S
表記:	2'-deoxy-5'-O-thiophosphonocytidine
組成式:	C9 H14 N3 O6 P S
SMILES:	P(=O)(O)(OCC1C(CC(O1)N2C=CC(=NC2=O)N)O)S
InChi:	InChI=1S/C9H14N3O6PS/c10-7-1-2-12(9(14)11-7)8-3-5(13)6(18-8)4-17-19(15,16)20/h1-2,5-6,8,13H,3-4H2,(H2,10,11,14)(H2,15,16,20)/t5-,6+,8+/m0/s1
別名:	2'-deoxy-5'-O-thiophosphonocytidine (thiophospho connection isoform 2)
定義日:	2016-04-28
最終更新日:	2021-03-01
公開日:	2016-06-22
識別子（ID）:	2'-deoxy-5'-O-thiophosphonocytidine

TAK

TAK
表記:	6-[4-(2-piperidin-1-ylethoxy)phenyl]-3-pyridin-4-ylpyrazolo[1,5-a]pyrimidine
組成式:	C24 H25 N5 O
SMILES:	O(c4ccc(c2cn3ncc(c1ccncc1)c3nc2)cc4)CCN5CCCCC5
InChi:	InChI=1S/C24H25N5O/c1-2-12-28(13-3-1)14-15-30-22-6-4-19(5-7-22)21-16-26-24-23(17-27-29(24)18-21)20-8-10-25-11-9-20/h4-11,16-18H,1-3,12-15H2
別名:	Dorsomorphin
定義日:	2008-01-21
最終更新日:	2021-03-01
識別子（ID）:	6-[4-(2-piperidin-1-ylethoxy)phenyl]-3-pyridin-4-ylpyrazolo[1,5-a]pyrimidine

TAP

TAP
表記:	7-THIONICOTINAMIDE-ADENINE-DINUCLEOTIDE PHOSPHATE
組成式:	C21 H28 N7 O16 P3 S
SMILES:	NC(=S)c1ccc[n+](c1)[CH]2O[CH](CO[P]([O-])(=O)O[P](O)(=O)OC[CH]3O[CH]([CH](O[P](O)(O)=O)[CH]3O)n4cnc5c(N)ncnc45)[CH](O)[CH]2O
InChi:	InChI=1S/C21H28N7O16P3S/c22-17-12-19(25-7-24-17)28(8-26-12)21-16(43-45(32,33)34)14(30)11(42-21)6-40-47(37,38)44-46(35,36)39-5-10-13(29)15(31)20(41-10)27-3-1-2-9(4-27)18(23)48/h1-4,7-8,10-11,13-16,20-21,29-31H,5-6H2,(H7-,22,23,24,25,32,33,34,35,36,37,38,48)/t10-,11-,13-,14-,15-,16-,20-,21-/m1/s1
別名:	TATP
定義日:	1999-07-08
最終更新日:	2021-03-01
識別子（ID）:	[[(2R,3R,4R,5R)-5-(6-aminopurin-9-yl)-3-hydroxy-4-phosphonooxy-oxolan-2-yl]methoxy-hydroxy-phosphoryl] [(2R,3S,4R,5R)-5-(3-carbamothioylpyridin-1-ium-1-yl)-3,4-dihydroxy-oxolan-2-yl]methyl phosphate

TAX

TAX
表記:	(Z)-2-[4-(1,2)-DIPHENYL-1-BUTENYL)-PHENOXY]-N,N-DIMETHYLETHANAMINIUM
組成式:	C26 H30 N O
SMILES:	O(c1ccc(cc1)C(c2ccccc2)=C(c3ccccc3)CC)CC[NH+](C)C
InChi:	InChI=1S/C26H29NO/c1-4-25(21-11-7-5-8-12-21)26(22-13-9-6-10-14-22)23-15-17-24(18-16-23)28-20-19-27(2)3/h5-18H,4,19-20H2,1-3H3/p+1/b26-25+
別名:	CIS FORM OF TAMOXIFEN
定義日:	2000-08-14
最終更新日:	2021-03-01
識別子（ID）:	2-{4-[(1E)-1,2-diphenylbut-1-en-1-yl]phenoxy}-N,N-dimethylethanaminium

C8V

C8V
表記:	(2S,5R)-1-formyl-N'-[(3R)-piperidine-3-carbonyl]-5-[(sulfooxy)amino]piperidine-2-carbohydrazide
組成式:	C13 H23 N5 O7 S
SMILES:	O=S(ONC1CN(C=O)C(CC1)C(=O)NNC(C2CNCCC2)=O)(O)=O
InChi:	InChI=1S/C13H23N5O7S/c19-8-18-7-10(17-25-26(22,23)24)3-4-11(18)13(21)16-15-12(20)9-2-1-5-14-6-9/h8-11,14,17H,1-7H2,(H,15,20)(H,16,21)(H,22,23,24)/t9-,10-,11+/m1/s1
別名:	OPEN FORM - Zidebactam
定義日:	2017-09-19
最終更新日:	2021-03-01
公開日:	2018-08-01
識別子（ID）:	(2S,5R)-1-formyl-N'-[(3R)-piperidine-3-carbonyl]-5-[(sulfooxy)amino]piperidine-2-carbohydrazide

C8Y

C8Y
表記:	(2S,5R)-1-formyl-5-[(sulfooxy)amino]piperidine-2-carbonitrile
組成式:	C7 H11 N3 O5 S
SMILES:	O=S(O)(=O)ONC1CCC(C#N)N(C=O)C1
InChi:	InChI=1S/C7H11N3O5S/c8-3-7-2-1-6(4-10(7)5-11)9-15-16(12,13)14/h5-7,9H,1-2,4H2,(H,12,13,14)/t6-,7+/m1/s1
別名:	open form - WCK 4234
定義日:	2017-09-19
最終更新日:	2021-03-01
公開日:	2018-08-01
識別子（ID）:	(2S,5R)-1-formyl-5-[(sulfooxy)amino]piperidine-2-carbonitrile

C93

C93
表記:	3-(4-hydroxypiperidin-1-yl)benzene-1,2-dicarboxylic acid
組成式:	C13 H15 N O5
SMILES:	O=C(O)c1c(c(ccc1)N2CCC(O)CC2)C(=O)O
InChi:	InChI=1S/C13H15NO5/c15-8-4-6-14(7-5-8)10-3-1-2-9(12(16)17)11(10)13(18)19/h1-3,8,15H,4-7H2,(H,16,17)(H,18,19)
別名:	3-(4-hydroxypiperidine-1-yl) phthalic acid
定義日:	2014-08-19
最終更新日:	2021-03-01
公開日:	2014-10-15
識別子（ID）:	3-(4-hydroxypiperidin-1-yl)benzene-1,2-dicarboxylic acid

TBH

TBH
表記:	5-(2-{2-[(TERT-BUTOXY-HYDROXY-METHYL)-AMINO]-1-HYDROXY-3-PHENYL-PROPYLAMINO}-3-HYDROXY-3-PENTYLAMINO-PROPYL)-2-CARBOXYMETHOXY-BENZOIC ACID
組成式:	C31 H47 N3 O9
SMILES:	O=C(O)c1cc(ccc1OCC(=O)O)CC(NC(O)C(NC(O)OC(C)(C)C)Cc2ccccc2)C(O)NCCCCC
InChi:	InChI=1S/C31H47N3O9/c1-5-6-10-15-32-27(37)23(18-21-13-14-25(42-19-26(35)36)22(16-21)29(39)40)33-28(38)24(17-20-11-8-7-9-12-20)34-30(41)43-31(2,3)4/h7-9,11-14,16,23-24,27-28,30,32-34,37-38,41H,5-6,10,15,17-19H2,1-4H3,(H,35,36)(H,39,40)/t23-,24-,27+,28-,30-/m0/s1
別名:	PNU177836
定義日:	2001-06-26
最終更新日:	2021-03-01
識別子（ID）:	5-[(2S,3R)-2-{[(1S,2S)-2-{[(S)-tert-butoxy(hydroxy)methyl]amino}-1-hydroxy-3-phenylpropyl]amino}-3-hydroxy-3-(pentylamino)propyl]-2-(carboxymethoxy)benzoic acid

TBL

TBL
表記:	N-[(4-methoxyphenyl)sulfonyl]-D-alanine
組成式:	C10 H13 N O5 S
SMILES:	O=C(O)C(NS(=O)(=O)c1ccc(OC)cc1)C
InChi:	InChI=1S/C10H13NO5S/c1-7(10(12)13)11-17(14,15)9-5-3-8(16-2)4-6-9/h3-7,11H,1-2H3,(H,12,13)/t7-/m1/s1
別名:	(R)-2-(4-methoxyphenylsulfonamido)propanoic acid
定義日:	2008-09-18
最終更新日:	2021-03-01
識別子（ID）:	N-[(4-methoxyphenyl)sulfonyl]-D-alanine

C9C

C9C
表記:	4-(2-hydroxyethyloxycarbonyl)benzoic acid
組成式:	C10 H10 O5
SMILES:	OCCOC(=O)c1ccc(cc1)C(O)=O
InChi:	InChI=1S/C10H10O5/c11-5-6-15-10(14)8-3-1-7(2-4-8)9(12)13/h1-4,11H,5-6H2,(H,12,13)
別名:	monohydroxyethyl terephthalate
定義日:	2019-04-16
最終更新日:	2021-03-01
公開日:	2020-04-15
識別子（ID）:	4-(2-hydroxyethyloxycarbonyl)benzoic acid

C9D

C9D
表記:	(2S,5R)-1-formyl-N'-[(3R)-pyrrolidine-3-carbonyl]-5-[(sulfooxy)amino]piperidine-2-carbohydrazide
組成式:	C12 H21 N5 O7 S
SMILES:	O=S(ONC1CN(C=O)C(CC1)C(=O)NNC(C2CNCC2)=O)(O)=O
InChi:	InChI=1S/C12H21N5O7S/c18-7-17-6-9(16-24-25(21,22)23)1-2-10(17)12(20)15-14-11(19)8-3-4-13-5-8/h7-10,13,16H,1-6H2,(H,14,19)(H,15,20)(H,21,22,23)/t8-,9-,10+/m1/s1
別名:	open form - WCK 5153
定義日:	2017-09-20
最終更新日:	2021-03-01
公開日:	2018-08-01
識別子（ID）:	(2S,5R)-1-formyl-N'-[(3R)-pyrrolidine-3-carbonyl]-5-[(sulfooxy)amino]piperidine-2-carbohydrazide

TBQ

TBQ
表記:	(3~{R})-1-(4-chlorophenyl)-4,4-dimethyl-3-(1,2,4-triazol-1-ylmethyl)pentan-3-ol
組成式:	C16 H22 Cl N3 O
SMILES:	CC(C)(C)[C](O)(CCc1ccc(Cl)cc1)Cn2cncn2
InChi:	InChI=1S/C16H22ClN3O/c1-15(2,3)16(21,10-20-12-18-11-19-20)9-8-13-4-6-14(17)7-5-13/h4-7,11-12,21H,8-10H2,1-3H3/t16-/m0/s1
別名:	(R)-tebuconazole
定義日:	2015-10-20
最終更新日:	2021-03-01
公開日:	2016-02-10
識別子（ID）:	(3~{R})-1-(4-chlorophenyl)-4,4-dimethyl-3-(1,2,4-triazol-1-ylmethyl)pentan-3-ol

TBR

TBR
表記:	HEXATANTALUM DODECABROMIDE
組成式:	Br12 Ta6
SMILES:	Br\|1[Ta]\|2\|3\|4\|5\|Br[Ta]\|6\|7\|89%10\|2\|Br[Ta]\|%11\|%12\|%13\|%14\|1\|3\|6Br\|[Ta]\|%15\|%16\|%17\|7\|%11(Br\|[Ta]\|%18\|4\|%12\|%15(Br\|%13)(Br\|%14)\|Br[Ta]\|5\|8\|%16\|%18(\|Br9)(Br)Br\|%17)\|Br%10
InChi:	InChI=1S/12BrH.6Ta/h12*1H
別名:	DODECABROMOHEXATANTALUM
定義日:	1999-11-12
最終更新日:	2021-03-01

C9P

C9P
表記:	4-(dihydroxyboranyl)-2-({[4-(phenylsulfonyl)thiophen-2-yl]sulfonyl}amino)benzoic acid
組成式:	C17 H14 B N O8 S3
SMILES:	O=S(=O)(c1csc(c1)S(=O)(=O)Nc2cc(B(O)O)ccc2C(=O)O)c3ccccc3
InChi:	InChI=1S/C17H14BNO8S3/c20-17(21)14-7-6-11(18(22)23)8-15(14)19-30(26,27)16-9-13(10-28-16)29(24,25)12-4-2-1-3-5-12/h1-10,19,22-23H,(H,20,21)
別名:	3-(4-BENZENESULFONYL-THIOPHENE-2-SULFONYLAMINO)-4-CARBOXY-PHENYLBORONIC ACID
定義日:	2007-12-20
最終更新日:	2021-03-01
識別子（ID）:	4-(dihydroxyboranyl)-2-({[4-(phenylsulfonyl)thiophen-2-yl]sulfonyl}amino)benzoic acid

TCE

TCE
表記:	3,3',3''-phosphanetriyltripropanoic acid
組成式:	C9 H15 O6 P
SMILES:	O=C(O)CCP(CCC(=O)O)CCC(=O)O
InChi:	InChI=1S/C9H15O6P/c10-7(11)1-4-16(5-2-8(12)13)6-3-9(14)15/h1-6H2,(H,10,11)(H,12,13)(H,14,15)
別名:	3-[bis(2-carboxyethyl)phosphanyl]propanoic acid
定義日:	2009-01-12
最終更新日:	2021-03-01
識別子（ID）:	3,3',3''-phosphanetriyltripropanoic acid

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