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: 40235 件 BIRD

QGY

QGY
表記:	(1P)-2-amino-5-bromo-1-(3-hydroxy-2,6-dimethylphenyl)-1H-pyrrolo[2,3-b]quinoxaline-3-carboxamide
組成式:	C19 H16 Br N5 O2
SMILES:	NC(=O)c1c2nc3c(Br)cccc3nc2n(c1N)c1c(C)ccc(O)c1C
InChi:	InChI=1S/C19H16BrN5O2/c1-8-6-7-12(26)9(2)16(8)25-17(21)13(18(22)27)15-19(25)23-11-5-3-4-10(20)14(11)24-15/h3-7,26H,21H2,1-2H3,(H2,22,27)
定義日:	2022-06-09
最終更新日:	2022-07-22
公開日:	2022-07-27
識別子（ID）:	(1P)-2-amino-5-bromo-1-(3-hydroxy-2,6-dimethylphenyl)-1H-pyrrolo[2,3-b]quinoxaline-3-carboxamide

JHF

JHF
表記:	(6S)-6-[5-(3,5-dimethyl-1,2-oxazol-4-yl)-1-[(3R)-1-methylsulfonylpyrrolidin-3-yl]benzimidazol-2-yl]-1-(3-fluoranyl-4-methoxy-phenyl)piperidin-2-one
組成式:	C29 H32 F N5 O5 S
SMILES:	COc1ccc(cc1F)N2[CH](CCCC2=O)c3nc4cc(ccc4n3[CH]5CCN(C5)[S](C)(=O)=O)c6c(C)onc6C
InChi:	InChI=1S/C29H32FN5O5S/c1-17-28(18(2)40-32-17)19-8-10-24-23(14-19)31-29(35(24)21-12-13-33(16-21)41(4,37)38)25-6-5-7-27(36)34(25)20-9-11-26(39-3)22(30)15-20/h8-11,14-15,21,25H,5-7,12-13,16H2,1-4H3/t21-,25+/m1/s1
定義日:	2022-04-21
最終更新日:	2022-07-22
公開日:	2022-07-27
識別子（ID）:	(6~{S})-6-[5-(3,5-dimethyl-1,2-oxazol-4-yl)-1-[(3~{R})-1-methylsulfonylpyrrolidin-3-yl]benzimidazol-2-yl]-1-(3-fluoranyl-4-methoxy-phenyl)piperidin-2-one

NKF

NKF
表記:	2-methyl-3-[(1R)-1-{[4-methyl-7-(morpholin-4-yl)pyrido[3,4-d]pyridazin-1-yl]amino}ethyl]benzonitrile
組成式:	C22 H24 N6 O
SMILES:	N#Cc1cccc(c1C)C(C)Nc1nnc(C)c2cnc(cc12)N1CCOCC1
InChi:	InChI=1S/C22H24N6O/c1-14-17(12-23)5-4-6-18(14)15(2)25-22-19-11-21(28-7-9-29-10-8-28)24-13-20(19)16(3)26-27-22/h4-6,11,13,15H,7-10H2,1-3H3,(H,25,27)/t15-/m1/s1
定義日:	2022-04-05
最終更新日:	2022-07-22
公開日:	2022-07-27
識別子（ID）:	2-methyl-3-[(1R)-1-{[4-methyl-7-(morpholin-4-yl)pyrido[3,4-d]pyridazin-1-yl]amino}ethyl]benzonitrile

JHL

JHL
表記:	(6S)-1-[3,4-bis(fluoranyl)phenyl]-6-[5-(3,5-dimethyl-1,2-oxazol-4-yl)-1-(4-methoxycyclohexyl)benzimidazol-2-yl]piperidin-2-one
組成式:	C30 H32 F2 N4 O3
SMILES:	CO[CH]1CC[CH](CC1)n2c(nc3cc(ccc23)c4c(C)onc4C)[CH]5CCCC(=O)N5c6ccc(F)c(F)c6
InChi:	InChI=1S/C30H32F2N4O3/c1-17-29(18(2)39-34-17)19-7-14-26-25(15-19)33-30(36(26)20-8-11-22(38-3)12-9-20)27-5-4-6-28(37)35(27)21-10-13-23(31)24(32)16-21/h7,10,13-16,20,22,27H,4-6,8-9,11-12H2,1-3H3/t20-,22-,27-/m0/s1
別名:	CCS1477
定義日:	2022-04-21
最終更新日:	2022-07-22
公開日:	2022-07-27
識別子（ID）:	(6~{S})-1-[3,4-bis(fluoranyl)phenyl]-6-[5-(3,5-dimethyl-1,2-oxazol-4-yl)-1-(4-methoxycyclohexyl)benzimidazol-2-yl]piperidin-2-one

NL0

NL0
表記:	4-methyl-N-{(1R)-1-[2-methyl-3-(trifluoromethyl)phenyl]ethyl}-7-(piperazin-1-yl)phthalazin-1-amine
組成式:	C23 H26 F3 N5
SMILES:	FC(F)(F)c1cccc(c1C)C(C)Nc1nnc(C)c2ccc(cc12)N1CCNCC1
InChi:	InChI=1S/C23H26F3N5/c1-14-18(5-4-6-21(14)23(24,25)26)15(2)28-22-20-13-17(31-11-9-27-10-12-31)7-8-19(20)16(3)29-30-22/h4-8,13,15,27H,9-12H2,1-3H3,(H,28,30)/t15-/m1/s1
定義日:	2022-04-05
最終更新日:	2022-07-22
公開日:	2022-07-27
識別子（ID）:	4-methyl-N-{(1R)-1-[2-methyl-3-(trifluoromethyl)phenyl]ethyl}-7-(piperazin-1-yl)phthalazin-1-amine

KXX

KXX
表記:	(3S,4R,5S,8R,9E,12S,14S,15R,16S,18R,19R,22R,26aS)-8-ethyl-5,19-dihydroxy-3-{(1E)-1-[(1R,3R,4R)-4-hydroxy-3-methoxycyclohexyl]prop-1-en-2-yl}-14,16-dimethoxy-4,10,12,18-tetramethyl-5,6,8,11,12,13,14,15,16,17,18,19,24,25,26,26a-hexadecahydro-3H-15,19-epoxypyrido[2,1-c][1,4]oxazacyclotricosine-1,7,20,21(4H,23H)-tetrone
組成式:	C43 H69 N O12
SMILES:	OC1CCC(CC1OC)C=C(/C)C1OC(=O)C2CCCCN2C(=O)C(=O)C2(O)OC(C(CC(C)CC(C)=CC(CC)C(=O)CC(O)C1C)OC)C(CC2C)OC
InChi:	InChI=1S/C43H69NO12/c1-10-30-18-24(2)17-25(3)19-36(53-8)39-37(54-9)21-27(5)43(51,56-39)40(48)41(49)44-16-12-11-13-31(44)42(50)55-38(28(6)33(46)23-34(30)47)26(4)20-29-14-15-32(45)35(22-29)52-7/h18,20,25,27-33,35-39,45-46,51H,10-17,19,21-23H2,1-9H3/b24-18+,26-20+/t25-,27+,28+,29-,30+,31-,32+,33-,35+,36-,37-,38+,39+,43+/m0/s1
定義日:	2022-02-21
最終更新日:	2022-07-22
公開日:	2022-07-27
識別子（ID）:	(3S,4R,5S,8R,9E,12S,14S,15R,16S,18R,19R,22R,26aS)-8-ethyl-5,19-dihydroxy-3-{(1E)-1-[(1R,3R,4R)-4-hydroxy-3-methoxycyclohexyl]prop-1-en-2-yl}-14,16-dimethoxy-4,10,12,18-tetramethyl-5,6,8,11,12,13,14,15,16,17,18,19,24,25,26,26a-hexadecahydro-3H-15,19-epoxypyrido[2,1-c][1,4]oxazacyclotricosine-1,7,20,21(4H,23H)-tetrone

QCR

QCR
表記:	(3S,4R)-3-fluoro-1-(4-{[4-(methylamino)-1-(propan-2-yl)pyrido[3,4-d]pyridazin-7-yl]amino}pyrimidin-2-yl)piperidin-4-ol
組成式:	C20 H25 F N8 O
SMILES:	CC(C)c1nnc(NC)c2cnc(cc12)Nc1nc(ncc1)N1CCC(O)C(F)C1
InChi:	InChI=1S/C20H25FN8O/c1-11(2)18-12-8-17(24-9-13(12)19(22-3)28-27-18)25-16-4-6-23-20(26-16)29-7-5-15(30)14(21)10-29/h4,6,8-9,11,14-15,30H,5,7,10H2,1-3H3,(H,22,28)(H,23,24,25,26)/t14-,15+/m0/s1
定義日:	2022-06-07
最終更新日:	2022-07-22
公開日:	2022-07-27
識別子（ID）:	(3S,4R)-3-fluoro-1-(4-{[4-(methylamino)-1-(propan-2-yl)pyrido[3,4-d]pyridazin-7-yl]amino}pyrimidin-2-yl)piperidin-4-ol

0I1

0I1
表記:	(3-fluoroazetidin-1-yl){1-[4-(4-fluorophenyl)pyrimidin-5-yl]piperidin-4-yl}methanone
組成式:	C19 H20 F2 N4 O
SMILES:	FC1CN(C1)C(=O)C1CCN(CC1)c1cncnc1c1ccc(F)cc1
InChi:	InChI=1S/C19H20F2N4O/c20-15-3-1-13(2-4-15)18-17(9-22-12-23-18)24-7-5-14(6-8-24)19(26)25-10-16(21)11-25/h1-4,9,12,14,16H,5-8,10-11H2
定義日:	2021-06-09
最終更新日:	2022-07-22
公開日:	2022-07-27
識別子（ID）:	(3-fluoroazetidin-1-yl){1-[4-(4-fluorophenyl)pyrimidin-5-yl]piperidin-4-yl}methanone

EL0

EL0
表記:	(6S)-1-(3-chloranyl-4-methoxy-phenyl)-6-[5-(3,5-dimethyl-1,2-oxazol-4-yl)-1-[(3R)-1-methylsulfonylpyrrolidin-3-yl]benzimidazol-2-yl]piperidin-2-one
組成式:	C29 H32 Cl N5 O5 S
SMILES:	COc1ccc(cc1Cl)N2[CH](CCCC2=O)c3nc4cc(ccc4n3[CH]5CCN(C5)[S](C)(=O)=O)c6c(C)onc6C
InChi:	InChI=1S/C29H32ClN5O5S/c1-17-28(18(2)40-32-17)19-8-10-24-23(14-19)31-29(35(24)21-12-13-33(16-21)41(4,37)38)25-6-5-7-27(36)34(25)20-9-11-26(39-3)22(30)15-20/h8-11,14-15,21,25H,5-7,12-13,16H2,1-4H3/t21-,25+/m1/s1
定義日:	2022-04-21
最終更新日:	2022-07-22
公開日:	2022-07-27
識別子（ID）:	(6~{S})-1-(3-chloranyl-4-methoxy-phenyl)-6-[5-(3,5-dimethyl-1,2-oxazol-4-yl)-1-[(3~{R})-1-methylsulfonylpyrrolidin-3-yl]benzimidazol-2-yl]piperidin-2-one

GJ9

GJ9
表記:	(1R)-4-[7-(3-carboxypropoxy)-6-methylquinolin-8-yl]-1-{[2-(4-hydroxypiperidin-1-yl)-1,3-thiazol-4-yl]methyl}-1,4-diazepan-1-ium
組成式:	C28 H38 N5 O4 S
SMILES:	O=C(O)CCCOc1c(C)cc2cccnc2c1N1CCC[NH+](CC1)Cc1csc(n1)N1CCC(O)CC1
InChi:	InChI=1S/C28H37N5O4S/c1-20-17-21-5-2-9-29-25(21)26(27(20)37-16-3-6-24(35)36)32-11-4-10-31(14-15-32)18-22-19-38-28(30-22)33-12-7-23(34)8-13-33/h2,5,9,17,19,23,34H,3-4,6-8,10-16,18H2,1H3,(H,35,36)/p+1
定義日:	2022-01-03
最終更新日:	2022-07-22
公開日:	2022-07-27
識別子（ID）:	(1R)-4-[7-(3-carboxypropoxy)-6-methylquinolin-8-yl]-1-{[2-(4-hydroxypiperidin-1-yl)-1,3-thiazol-4-yl]methyl}-1,4-diazepan-1-ium

4UI

4UI
表記:	5-[[(2R)-7-fluoranyl-2-phenyl-2,3-dihydrothieno[3,2-b]indol-4-yl]methyl]-N-oxidanyl-thiophene-2-carboxamide
組成式:	C22 H17 F N2 O2 S2
SMILES:	ONC(=O)c1sc(Cn2c3C[CH](Sc3c4cc(F)ccc24)c5ccccc5)cc1
InChi:	InChI=1S/C22H17FN2O2S2/c23-14-6-8-17-16(10-14)21-18(11-20(29-21)13-4-2-1-3-5-13)25(17)12-15-7-9-19(28-15)22(26)24-27/h1-10,20,27H,11-12H2,(H,24,26)/t20-/m1/s1
定義日:	2021-07-07
最終更新日:	2022-07-22
公開日:	2022-07-27
識別子（ID）:	5-[[(2~{R})-7-fluoranyl-2-phenyl-2,3-dihydrothieno[3,2-b]indol-4-yl]methyl]-~{N}-oxidanyl-thiophene-2-carboxamide

5N9

5N9
表記:	~{N}-[[2-(3-chloranyl-4-propan-2-yloxy-phenyl)pyrimidin-5-yl]methyl]-2-(trifluoromethyl)pyridin-4-amine
組成式:	C20 H18 Cl F3 N4 O
SMILES:	CC(C)Oc1ccc(cc1Cl)c2ncc(CNc3ccnc(c3)C(F)(F)F)cn2
InChi:	InChI=1S/C20H18ClF3N4O/c1-12(2)29-17-4-3-14(7-16(17)21)19-27-10-13(11-28-19)9-26-15-5-6-25-18(8-15)20(22,23)24/h3-8,10-12H,9H2,1-2H3,(H,25,26)
定義日:	2021-07-13
最終更新日:	2022-07-22
公開日:	2022-07-27
識別子（ID）:	~{N}-[[2-(3-chloranyl-4-propan-2-yloxy-phenyl)pyrimidin-5-yl]methyl]-2-(trifluoromethyl)pyridin-4-amine

5OV

5OV
表記:	(3aR,4S,5S,6R,7R,7aS)-7-(hydroxymethyl)-2,2-bis(oxidanylidene)-3a,4,5,6,7,7a-hexahydro-3H-benzo[d][1,2,3]oxathiazole-4,5,6-triol
組成式:	C7 H13 N O7 S
SMILES:	OC[CH]1[CH](O)[CH](O)[CH](O)[CH]2N[S](=O)(=O)O[CH]12
InChi:	InChI=1S/C7H13NO7S/c9-1-2-4(10)6(12)5(11)3-7(2)15-16(13,14)8-3/h2-12H,1H2/t2-,3-,4-,5+,6+,7+/m1/s1
別名:	Cyclophellitol Sulfamidate probe KK131
定義日:	2021-07-13
最終更新日:	2022-07-22
公開日:	2022-07-27
識別子（ID）:	(3~{a}~{R},4~{S},5~{S},6~{R},7~{R},7~{a}~{S})-7-(hydroxymethyl)-2,2-bis(oxidanylidene)-3~{a},4,5,6,7,7~{a}-hexahydro-3~{H}-benzo[d][1,2,3]oxathiazole-4,5,6-triol

5TV

5TV
表記:	(1S)-1-(4-fluorophenyl)-2-(1H-imidazol-1-yl)ethyl 3,5-dichlorobenzoate
組成式:	C18 H13 Cl2 F N2 O2
SMILES:	Clc1cc(cc(Cl)c1)C(=O)OC(Cn1ccnc1)c1ccc(F)cc1
InChi:	InChI=1S/C18H13Cl2FN2O2/c19-14-7-13(8-15(20)9-14)18(24)25-17(10-23-6-5-22-11-23)12-1-3-16(21)4-2-12/h1-9,11,17H,10H2/t17-/m1/s1
定義日:	2021-07-23
最終更新日:	2022-07-22
公開日:	2022-07-27
識別子（ID）:	(1S)-1-(4-fluorophenyl)-2-(1H-imidazol-1-yl)ethyl 3,5-dichlorobenzoate

5UR

5UR
表記:	(1S)-1-(2,4-dichlorophenyl)-2-(1H-imidazol-1-yl)ethyl 3-(trifluoromethyl)benzoate
組成式:	C19 H13 Cl2 F3 N2 O2
SMILES:	FC(F)(F)c1cccc(c1)C(=O)OC(Cn1ccnc1)c1ccc(Cl)cc1Cl
InChi:	InChI=1S/C19H13Cl2F3N2O2/c20-14-4-5-15(16(21)9-14)17(10-26-7-6-25-11-26)28-18(27)12-2-1-3-13(8-12)19(22,23)24/h1-9,11,17H,10H2/t17-/m1/s1
定義日:	2021-07-23
最終更新日:	2022-07-22
公開日:	2022-07-27
識別子（ID）:	(1S)-1-(2,4-dichlorophenyl)-2-(1H-imidazol-1-yl)ethyl 3-(trifluoromethyl)benzoate

5Y1

5Y1
表記:	(5R)-5-hydroxy-16,21-dioxa-3,8,28-triazatetracyclo[20.3.1.1~2,6~.1~11,15~]octacosa-1(26),2,6(28),11(27),12,14,22,24-octaene-4,7-dione
組成式:	C23 H23 N3 O5
SMILES:	O=C1NCCc2cc(ccc2)OCCCCOc2cccc(c2)C=2N=C1C(O)C(=O)N=2
InChi:	InChI=1S/C23H23N3O5/c27-20-19-22(28)24-10-9-15-5-3-7-17(13-15)30-11-1-2-12-31-18-8-4-6-16(14-18)21(25-19)26-23(20)29/h3-8,13-14,20,27H,1-2,9-12H2,(H,24,28)
定義日:	2021-07-27
最終更新日:	2022-07-22
公開日:	2022-07-27
識別子（ID）:	(5R)-5-hydroxy-16,21-dioxa-3,8,28-triazatetracyclo[20.3.1.1~2,6~.1~11,15~]octacosa-1(26),2,6(28),11(27),12,14,22,24-octaene-4,7-dione

5YS

5YS
表記:	~{N}-[(1~{R})-1-(3-methoxyphenyl)ethyl]-4-pyridin-4-yl-piperidine-1-carboxamide
組成式:	C20 H25 N3 O2
SMILES:	COc1cccc(c1)[CH](C)NC(=O)N2CCC(CC2)c3ccncc3
InChi:	InChI=1S/C20H25N3O2/c1-15(18-4-3-5-19(14-18)25-2)22-20(24)23-12-8-17(9-13-23)16-6-10-21-11-7-16/h3-7,10-11,14-15,17H,8-9,12-13H2,1-2H3,(H,22,24)/t15-/m1/s1
定義日:	2021-07-19
最終更新日:	2022-07-22
公開日:	2022-07-27
識別子（ID）:	~{N}-[(1~{R})-1-(3-methoxyphenyl)ethyl]-4-pyridin-4-yl-piperidine-1-carboxamide

4I6

4I6
表記:	perfluorononanoic acid
組成式:	C9 H F17 O2
SMILES:	OC(=O)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)F
InChi:	InChI=1S/C9HF17O2/c10-2(11,1(27)28)3(12,13)4(14,15)5(16,17)6(18,19)7(20,21)8(22,23)9(24,25)26/h(H,27,28)
定義日:	2021-07-27
最終更新日:	2022-07-22
公開日:	2022-07-27
識別子（ID）:	2,2,3,3,4,4,5,5,6,6,7,7,8,8,9,9,9-heptadecakis(fluoranyl)nonanoic acid

4IF

4IF
表記:	cis-vaccenic acid
組成式:	C18 H34 O2
SMILES:	CCCCCCC=CCCCCCCCCCC(O)=O
InChi:	InChI=1S/C18H34O2/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18(19)20/h7-8H,2-6,9-17H2,1H3,(H,19,20)/b8-7-
定義日:	2021-07-27
最終更新日:	2022-07-22
公開日:	2022-07-27
識別子（ID）:	(~{Z})-octadec-11-enoic acid

8EH

8EH
表記:	(1R,2S)-N-[4-(2,6-dimethoxyphenyl)-5-(6-methylpyridin-2-yl)-1,2,4-triazol-3-yl]-1-(5-methylpyrimidin-2-yl)-1-oxidanyl-propane-2-sulfonamide
組成式:	C24 H27 N7 O5 S
SMILES:	COc1cccc(OC)c1n2c(N[S](=O)(=O)[CH](C)[CH](O)c3ncc(C)cn3)nnc2c4cccc(C)n4
InChi:	InChI=1S/C24H27N7O5S/c1-14-12-25-22(26-13-14)21(32)16(3)37(33,34)30-24-29-28-23(17-9-6-8-15(2)27-17)31(24)20-18(35-4)10-7-11-19(20)36-5/h6-13,16,21,32H,1-5H3,(H,29,30)/t16-,21-/m0/s1
定義日:	2021-12-09
最終更新日:	2022-07-22
公開日:	2022-07-27
識別子（ID）:	(1~{R},2~{S})-~{N}-[4-(2,6-dimethoxyphenyl)-5-(6-methylpyridin-2-yl)-1,2,4-triazol-3-yl]-1-(5-methylpyrimidin-2-yl)-1-oxidanyl-propane-2-sulfonamide

U08

U08
表記:	(2~{R},3~{R},4~{S},5~{R})-2-(4-azanylpyrrolo[2,1-f][1,2,4]triazin-7-yl)-5-(hydroxymethyl)-3,4-bis(oxidanyl)oxolane-2-carbonitrile
組成式:	C12 H13 N5 O4
SMILES:	Nc1ncnn2c1ccc2[C]3(O[CH](CO)[CH](O)[CH]3O)C#N
InChi:	InChI=1S/C12H13N5O4/c13-4-12(10(20)9(19)7(3-18)21-12)8-2-1-6-11(14)15-5-16-17(6)8/h1-2,5,7,9-10,18-20H,3H2,(H2,14,15,16)/t7-,9-,10-,12+/m1/s1
別名:	Remdesivir, reacted form
定義日:	2021-01-15
最終更新日:	2022-07-20
公開日:	2021-01-27
識別子（ID）:	(2~{R},3~{R},4~{S},5~{R})-2-(4-azanylpyrrolo[2,1-f][1,2,4]triazin-7-yl)-5-(hydroxymethyl)-3,4-bis(oxidanyl)oxolane-2-carbonitrile

N3U

N3U
表記:	L-xylulose-5-phosphate
組成式:	C5 H11 O8 P
SMILES:	O=P(O)(O)OCC(O)C(O)C(=O)CO
InChi:	InChI=1S/C5H11O8P/c6-1-3(7)5(9)4(8)2-13-14(10,11)12/h4-6,8-9H,1-2H2,(H2,10,11,12)/t4-,5-/m0/s1
定義日:	2022-03-23
最終更新日:	2022-07-15
公開日:	2022-07-20
識別子（ID）:	5-O-phosphono-L-xylulose

N46

N46
表記:	(2R)-2-hydroxy-3,4-dioxopentyl dihydrogen phosphate
組成式:	C5 H9 O7 P
SMILES:	O=P(O)(O)OCC(O)C(=O)C(C)=O
InChi:	InChI=1S/C5H9O7P/c1-3(6)5(8)4(7)2-12-13(9,10)11/h4,7H,2H2,1H3,(H2,9,10,11)/t4-/m1/s1
定義日:	2022-03-23
最終更新日:	2022-07-15
公開日:	2022-07-20
識別子（ID）:	(2R)-2-hydroxy-3,4-dioxopentyl dihydrogen phosphate

N4O

N4O
表記:	(2R)-2-hydroxy-3-oxobutyl dihydrogen phosphate
組成式:	C4 H9 O6 P
SMILES:	O=P(O)(O)OCC(O)C(C)=O
InChi:	InChI=1S/C4H9O6P/c1-3(5)4(6)2-10-11(7,8)9/h4,6H,2H2,1H3,(H2,7,8,9)/t4-/m1/s1
定義日:	2022-03-23
最終更新日:	2022-07-15
公開日:	2022-07-20
識別子（ID）:	(2R)-2-hydroxy-3-oxobutyl dihydrogen phosphate

N52

N52
表記:	(2R)-2-(dihydroxymethyl)-2-hydroxy-3-oxobutyl dihydrogen phosphate
組成式:	C5 H11 O8 P
SMILES:	O=P(O)(O)OCC(O)(C(O)O)C(C)=O
InChi:	InChI=1S/C5H11O8P/c1-3(6)5(9,4(7)8)2-13-14(10,11)12/h4,7-9H,2H2,1H3,(H2,10,11,12)/t5-/m0/s1
定義日:	2022-03-23
最終更新日:	2022-07-15
公開日:	2022-07-20
識別子（ID）:	(2R)-2-(dihydroxymethyl)-2-hydroxy-3-oxobutyl dihydrogen phosphate

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