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PDB Info pages Status search Chemie search: 43993 results BIRD

Y9R

Y9R
Name:	N-{(2S,3R)-4-[(4-aminobenzene-1-sulfonyl)(2-methylpropyl)amino]-3-hydroxy-1-phenylbutan-2-yl}-4-methyl-3-{[(4P)-4-(pyridin-3-yl)pyrimidin-2-yl]amino}benzamide
Formula:	C37 H41 N7 O4 S
SMILES:	Nc1ccc(cc1)S(=O)(=O)N(CC(C)C)CC(O)C(Cc1ccccc1)NC(=O)c1cc(Nc2nc(ccn2)c2cccnc2)c(C)cc1
InChi:	InChI=1S/C37H41N7O4S/c1-25(2)23-44(49(47,48)31-15-13-30(38)14-16-31)24-35(45)34(20-27-8-5-4-6-9-27)41-36(46)28-12-11-26(3)33(21-28)43-37-40-19-17-32(42-37)29-10-7-18-39-22-29/h4-19,21-22,25,34-35,45H,20,23-24,38H2,1-3H3,(H,41,46)(H,40,42,43)/t34-,35+/m0/s1
Definition date:	2023-01-18
Last modified:	2023-05-19
Release date:	2023-05-24
Identifier:	N-{(2S,3R)-4-[(4-aminobenzene-1-sulfonyl)(2-methylpropyl)amino]-3-hydroxy-1-phenylbutan-2-yl}-4-methyl-3-{[(4P)-4-(pyridin-3-yl)pyrimidin-2-yl]amino}benzamide

TVO

TVO
Name:	(3~{R},4~{R})-4-(3,4-dihydro-1~{H}-isoquinolin-2-yl)pyrrolidin-3-ol
Formula:	C13 H18 N2 O
SMILES:	O[CH]1CNC[CH]1N2CCc3ccccc3C2
InChi:	InChI=1S/C13H18N2O/c16-13-8-14-7-12(13)15-6-5-10-3-1-2-4-11(10)9-15/h1-4,12-14,16H,5-9H2/t12-,13-/m1/s1
Definition date:	2023-01-12
Last modified:	2023-05-19
Release date:	2023-05-24
Identifier:	(3~{R},4~{R})-4-(3,4-dihydro-1~{H}-isoquinolin-2-yl)pyrrolidin-3-ol

TW0

TW0
Name:	(3~{S},4~{S})-4-(4-pyridin-2-yl-1,2,3-triazol-1-yl)piperidin-3-ol
Formula:	C12 H15 N5 O
SMILES:	O[CH]1CNCC[CH]1n2cc(nn2)c3ccccn3
InChi:	InChI=1S/C12H15N5O/c18-12-7-13-6-4-11(12)17-8-10(15-16-17)9-3-1-2-5-14-9/h1-3,5,8,11-13,18H,4,6-7H2/t11-,12-/m0/s1
Definition date:	2023-01-12
Last modified:	2023-05-19
Release date:	2023-05-24
Identifier:	(3~{S},4~{S})-4-(4-pyridin-2-yl-1,2,3-triazol-1-yl)piperidin-3-ol

VY3

VY3
Name:	~{N}-[2-[2-[2-[2-[2-[2-[3-[4-[4-(2-azanylethylamino)-2-[1-(4-chlorophenyl)cyclopentyl]quinazolin-7-yl]piperazin-1-yl]-3-oxidanylidene-propoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethyl]ethanamide
Formula:	C42 H62 Cl N7 O8
SMILES:	CC(=O)NCCOCCOCCOCCOCCOCCOCCC(=O)N1CCN(CC1)c2ccc3c(NCCN)nc(nc3c2)C4(CCCC4)c5ccc(Cl)cc5
InChi:	InChI=1S/C42H62ClN7O8/c1-33(51)45-15-21-54-23-25-56-27-29-58-31-30-57-28-26-55-24-22-53-20-10-39(52)50-18-16-49(17-19-50)36-8-9-37-38(32-36)47-41(48-40(37)46-14-13-44)42(11-2-3-12-42)34-4-6-35(43)7-5-34/h4-9,32H,2-3,10-31,44H2,1H3,(H,45,51)(H,46,47,48)
Definition date:	2023-04-12
Last modified:	2023-05-19
Release date:	2023-05-24
Identifier:	~{N}-[2-[2-[2-[2-[2-[2-[3-[4-[4-(2-azanylethylamino)-2-[1-(4-chlorophenyl)cyclopentyl]quinazolin-7-yl]piperazin-1-yl]-3-oxidanylidene-propoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethyl]ethanamide

TWX

TWX
Name:	(3~{R},4~{R})-4-[4-[(4-azanylphenoxy)methyl]-1,2,3-triazol-1-yl]pyrrolidin-3-ol
Formula:	C13 H17 N5 O2
SMILES:	Nc1ccc(OCc2cn(nn2)[CH]3CNC[CH]3O)cc1
InChi:	InChI=1S/C13H17N5O2/c14-9-1-3-11(4-2-9)20-8-10-7-18(17-16-10)12-5-15-6-13(12)19/h1-4,7,12-13,15,19H,5-6,8,14H2/t12-,13-/m1/s1
Definition date:	2023-01-13
Last modified:	2023-05-19
Release date:	2023-05-24
Identifier:	(3~{R},4~{R})-4-[4-[(4-azanylphenoxy)methyl]-1,2,3-triazol-1-yl]pyrrolidin-3-ol

VKL

VKL
Name:	3-[3,4-bis(fluoranyl)phenyl]-5-methyl-1$l^{4},4,5$l^{4},7-tetrazabicyclo[4.3.0]nona-1(6),2,4-triene
Formula:	C12 H12 F2 N4
SMILES:	C[n+]1nc(c[n+]2CCNc12)c3ccc(F)c(F)c3
InChi:	InChI=1S/C12H11F2N4/c1-17-12-15-4-5-18(12)7-11(16-17)8-2-3-9(13)10(14)6-8/h2-3,6-7H,4-5H2,1H3/q+1/p+1
Definition date:	2023-03-09
Last modified:	2023-05-19
Release date:	2023-05-24
Identifier:	3-[3,4-bis(fluoranyl)phenyl]-1-methyl-7,8-dihydro-6~{H}-imidazo[2,1-c][1,2,4]triazine-1,5-diium

ZG9

ZG9
Name:	[(2S)-1,4-dioxan-2-yl]methyl 2-acetamido-2-deoxy-6-O-methyl-beta-D-glucopyranoside
Formula:	C14 H25 N O8
SMILES:	CC(=O)NC1C(O)C(O)C(COC)OC1OCC1COCCO1
InChi:	InChI=1S/C14H25NO8/c1-8(16)15-11-13(18)12(17)10(7-19-2)23-14(11)22-6-9-5-20-3-4-21-9/h9-14,17-18H,3-7H2,1-2H3,(H,15,16)/t9-,10+,11+,12+,13+,14+/m0/s1
Definition date:	2023-03-09
Last modified:	2023-05-19
Release date:	2023-05-24
Identifier:	[(2S)-1,4-dioxan-2-yl]methyl 2-acetamido-2-deoxy-6-O-methyl-beta-D-glucopyranoside

W08

W08
Name:	(2S,3S,4R,5R)-5-(6-aminopurin-9-yl)-N-(1-methylpiperidin-4-yl)-3,4-bis(oxidanyl)oxolane-2-carboxamide
Formula:	C16 H23 N7 O4
SMILES:	CN1CCC(CC1)NC(=O)[CH]2O[CH]([CH](O)[CH]2O)n3cnc4c(N)ncnc34
InChi:	InChI=1S/C16H23N7O4/c1-22-4-2-8(3-5-22)21-15(26)12-10(24)11(25)16(27-12)23-7-20-9-13(17)18-6-19-14(9)23/h6-8,10-12,16,24-25H,2-5H2,1H3,(H,21,26)(H2,17,18,19)/t10-,11+,12-,16+/m0/s1
Synonyms:	(2S,3S,4R,5R)-5-(6-Amino-9H-purin-9-yl)-3,4-dihydroxy-N-(1-methyl-4-piperidinyl)tetrahydro-2-furancarboxamide
Definition date:	2023-04-21
Last modified:	2023-05-19
Release date:	2023-05-24
Identifier:	(2~{S},3~{S},4~{R},5~{R})-5-(6-aminopurin-9-yl)-~{N}-(1-methylpiperidin-4-yl)-3,4-bis(oxidanyl)oxolane-2-carboxamide

ZH8

ZH8
Name:	~{N}-[(2~{R},3~{R},4~{R},5~{S},6~{R})-6-(hydroxymethyl)-4,5-bis(oxidanyl)-2-[(4-oxidanylidene-3~{H}-pyrido[1,2-a]pyrimidin-2-yl)methoxy]oxan-3-yl]ethanamide
Formula:	C17 H22 N3 O7
SMILES:	CC(=O)NC1C(O)C(O)C(CO)OC1OCC=1CC(=O)[n+]2ccccc2N=1
InChi:	InChI=1S/C17H21N3O7/c1-9(22)18-14-16(25)15(24)11(7-21)27-17(14)26-8-10-6-13(23)20-5-3-2-4-12(20)19-10/h2-5,11,14-17,21,24-25H,6-8H2,1H3/p+1/t11-,14-,15-,16-,17-/m1/s1
Definition date:	2023-03-10
Last modified:	2023-05-19
Release date:	2023-05-24
Identifier:	(4-oxo-3,4-dihydropyrido[1,2-a]pyrimidin-5-ium-2-yl)methyl 2-acetamido-2-deoxy-beta-D-glucopyranoside

ZHE

ZHE
Name:	cyclohexylmethyl 2-acetamido-2-deoxy-beta-D-glucopyranoside
Formula:	C15 H27 N O6
SMILES:	CC(=O)NC1C(O)C(O)C(CO)OC1OCC1CCCCC1
InChi:	InChI=1S/C15H27NO6/c1-9(18)16-12-14(20)13(19)11(7-17)22-15(12)21-8-10-5-3-2-4-6-10/h10-15,17,19-20H,2-8H2,1H3,(H,16,18)/t11-,12-,13-,14-,15-/m1/s1
Definition date:	2023-03-10
Last modified:	2023-05-19
Release date:	2023-05-24
Identifier:	cyclohexylmethyl 2-acetamido-2-deoxy-beta-D-glucopyranoside

YUX

YUX
Name:	3-[3-(4-decylphenyl)-1,2,4-oxadiazol-5-yl]propan-1-amine
Formula:	C21 H33 N3 O
SMILES:	CCCCCCCCCCc1ccc(cc1)c1nc(CCCN)on1
InChi:	InChI=1S/C21H33N3O/c1-2-3-4-5-6-7-8-9-11-18-13-15-19(16-14-18)21-23-20(25-24-21)12-10-17-22/h13-16H,2-12,17,22H2,1H3
Definition date:	2023-02-22
Last modified:	2023-05-19
Release date:	2023-05-24
Identifier:	3-[3-(4-decylphenyl)-1,2,4-oxadiazol-5-yl]propan-1-amine

ZHL

ZHL
Name:	(3S,3aR,5S,6S,6aS)-2-oxohexahydro-2H-3,5-methanocyclopenta[b]furan-6-yl 2-acetamido-2-deoxy-beta-D-glucopyranoside
Formula:	C16 H23 N O8
SMILES:	CC(=O)NC1C(O)C(O)C(CO)OC1OC1C2OC(=O)C3CC1CC23
InChi:	InChI=1S/C16H23NO8/c1-5(19)17-10-12(21)11(20)9(4-18)23-16(10)25-13-6-2-7-8(3-6)15(22)24-14(7)13/h6-14,16,18,20-21H,2-4H2,1H3,(H,17,19)/t6-,7+,8-,9+,10+,11+,12+,13-,14-,16-/m0/s1
Definition date:	2023-03-10
Last modified:	2023-05-19
Release date:	2023-05-24
Identifier:	(3S,3aR,5S,6S,6aS)-2-oxohexahydro-2H-3,5-methanocyclopenta[b]furan-6-yl 2-acetamido-2-deoxy-beta-D-glucopyranoside

ZHR

ZHR
Name:	2-(1-benzofuran-5-yl)ethyl 2-acetamido-2-deoxy-beta-D-glucopyranoside
Formula:	C18 H23 N O7
SMILES:	CC(=O)NC1C(O)C(O)C(CO)OC1OCCc1ccc2occc2c1
InChi:	InChI=1S/C18H23NO7/c1-10(21)19-15-17(23)16(22)14(9-20)26-18(15)25-6-4-11-2-3-13-12(8-11)5-7-24-13/h2-3,5,7-8,14-18,20,22-23H,4,6,9H2,1H3,(H,19,21)/t14-,15-,16-,17-,18-/m1/s1
Definition date:	2023-03-10
Last modified:	2023-05-19
Release date:	2023-05-24
Identifier:	2-(1-benzofuran-5-yl)ethyl 2-acetamido-2-deoxy-beta-D-glucopyranoside

ZI2

ZI2
Name:	[(2S)-1,4-dioxan-2-yl]methyl 2-acetamido-4-amino-2,4-dideoxy-beta-D-glucopyranoside
Formula:	C13 H24 N2 O7
SMILES:	CC(=O)NC1C(O)C(N)C(CO)OC1OCC1COCCO1
InChi:	InChI=1S/C13H24N2O7/c1-7(17)15-11-12(18)10(14)9(4-16)22-13(11)21-6-8-5-19-2-3-20-8/h8-13,16,18H,2-6,14H2,1H3,(H,15,17)/t8-,9+,10+,11+,12-,13+/m0/s1
Definition date:	2023-03-10
Last modified:	2023-05-19
Release date:	2023-05-24
Identifier:	[(2S)-1,4-dioxan-2-yl]methyl 2-acetamido-4-amino-2,4-dideoxy-beta-D-glucopyranoside

ZI5

ZI5
Name:	(5Z,8Z,11Z,13S,14Z)-N-[(2R)-1-hydroxypropan-2-yl]-13-methylicosa-5,8,11,14-tetraenamide
Formula:	C24 H41 N O2
SMILES:	CC(NC(=O)CCC/C=CC/C=CCC=C/C(C)/C=CCCCCC)CO
InChi:	InChI=1S/C24H41NO2/c1-4-5-6-12-15-18-22(2)19-16-13-10-8-7-9-11-14-17-20-24(27)25-23(3)21-26/h8-11,15-16,18-19,22-23,26H,4-7,12-14,17,20-21H2,1-3H3,(H,25,27)/b10-8-,11-9-,18-15-,19-16-/t22-,23+/m0/s1
Definition date:	2023-03-13
Last modified:	2023-05-19
Release date:	2023-05-24
Identifier:	(5Z,8Z,11Z,13S,14Z)-N-[(2R)-1-hydroxypropan-2-yl]-13-methylicosa-5,8,11,14-tetraenamide

ZIA

ZIA
Name:	[(2R)-5-oxopyrrolidin-2-yl]methyl 2-acetamido-2-deoxy-beta-D-glucopyranoside
Formula:	C13 H22 N2 O7
SMILES:	CC(=O)NC1C(O)C(O)C(CO)OC1OCC1CCC(=O)N1
InChi:	InChI=1S/C13H22N2O7/c1-6(17)14-10-12(20)11(19)8(4-16)22-13(10)21-5-7-2-3-9(18)15-7/h7-8,10-13,16,19-20H,2-5H2,1H3,(H,14,17)(H,15,18)/t7-,8-,10-,11-,12-,13-/m1/s1
Definition date:	2023-03-13
Last modified:	2023-05-19
Release date:	2023-05-24
Identifier:	[(2R)-5-oxopyrrolidin-2-yl]methyl 2-acetamido-2-deoxy-beta-D-glucopyranoside

ZIE

ZIE
Name:	4-nitrophenyl 2-acetamido-4-O-(2-acetamido-2-deoxy-beta-D-glucopyranosyl)-2-deoxy-beta-D-glucopyranoside
Formula:	C22 H31 N3 O13
SMILES:	CC(=O)NC1C(O)C(O)C(CO)OC1OC1C(CO)OC(Oc2ccc(cc2)[N+]([O-])=O)C(NC(C)=O)C1O
InChi:	InChI=1S/C22H31N3O13/c1-9(28)23-15-18(31)17(30)13(7-26)36-22(15)38-20-14(8-27)37-21(16(19(20)32)24-10(2)29)35-12-5-3-11(4-6-12)25(33)34/h3-6,13-22,26-27,30-32H,7-8H2,1-2H3,(H,23,28)(H,24,29)/t13-,14-,15-,16-,17-,18-,19-,20-,21-,22+/m1/s1
Definition date:	2023-03-13
Last modified:	2023-05-19
Release date:	2023-05-24
Identifier:	4-nitrophenyl 2-acetamido-4-O-(2-acetamido-2-deoxy-beta-D-glucopyranosyl)-2-deoxy-beta-D-glucopyranoside

JGC

JGC
Name:	Flavin mononucleotide (semi-quinone intermediate)
Formula:	C17 H23 N4 O9 P
SMILES:	Cc1cc2N[CH]3C(=O)NC(=O)N=C3N(C[CH](O)[CH](O)[CH](O)CO[P](O)(O)=O)c2cc1C
InChi:	InChI=1S/C17H23N4O9P/c1-7-3-9-10(4-8(7)2)21(15-13(18-9)16(25)20-17(26)19-15)5-11(22)14(24)12(23)6-30-31(27,28)29/h3-4,11-14,18,22-24H,5-6H2,1-2H3,(H,20,25,26)(H2,27,28,29)/t11-,12+,13+,14-/m0/s1
Synonyms:	[(2R,3S,4S)-5-[(4aR)-7,8-dimethyl-2,4-bis(oxidanylidene)-4a,5-dihydrobenzo[g]pteridin-10-yl]-2,3,4-tris(oxidanyl)pentyl] dihydrogen phosphate
Definition date:	2022-04-27
Last modified:	2023-05-19
Release date:	2023-05-24
Identifier:	[(2~{R},3~{S},4~{S})-5-[(4~{a}~{R})-7,8-dimethyl-2,4-bis(oxidanylidene)-4~{a},5-dihydrobenzo[g]pteridin-10-yl]-2,3,4-tris(oxidanyl)pentyl] dihydrogen phosphate

WNZ

WNZ
Name:	(2R)-3-{[(R)-(2-aminoethoxy)(hydroxy)phosphoryl]oxy}-2-(dodecanoyloxy)propyl dodecanoate
Formula:	C29 H58 N O8 P
SMILES:	NCCOP(O)(=O)OCC(COC(=O)CCCCCCCCCCC)OC(=O)CCCCCCCCCCC
InChi:	InChI=1S/C29H58NO8P/c1-3-5-7-9-11-13-15-17-19-21-28(31)35-25-27(26-37-39(33,34)36-24-23-30)38-29(32)22-20-18-16-14-12-10-8-6-4-2/h27H,3-26,30H2,1-2H3,(H,33,34)/t27-/m1/s1
Definition date:	2022-10-04
Last modified:	2023-05-19
Release date:	2023-05-24
Identifier:	(2R)-3-{[(R)-(2-aminoethoxy)(hydroxy)phosphoryl]oxy}-2-(dodecanoyloxy)propyl dodecanoate

ZMB

ZMB
Name:	methyl (2S)-3-[(2-acetamido-2-deoxy-beta-D-glucopyranosyl)oxy]-2-methylpropanoate
Formula:	C13 H23 N O8
SMILES:	O=C(OC)C(C)COC1OC(CO)C(O)C(O)C1NC(C)=O
InChi:	InChI=1S/C13H23NO8/c1-6(12(19)20-3)5-21-13-9(14-7(2)16)11(18)10(17)8(4-15)22-13/h6,8-11,13,15,17-18H,4-5H2,1-3H3,(H,14,16)/t6-,8+,9+,10+,11+,13+/m0/s1
Definition date:	2023-03-14
Last modified:	2023-05-19
Release date:	2023-05-24
Identifier:	methyl (2S)-3-[(2-acetamido-2-deoxy-beta-D-glucopyranosyl)oxy]-2-methylpropanoate

X5O

X5O
Name:	denifanstat
Formula:	C27 H29 N5 O
SMILES:	O=C(c1cc(c2nnc(C)[NH]2)c(cc1C)C1CCC1)N1CCC(CC1)c1ccc(C#N)cc1
InChi:	InChI=1S/C27H29N5O/c1-17-14-24(22-4-3-5-22)25(26-29-18(2)30-31-26)15-23(17)27(33)32-12-10-21(11-13-32)20-8-6-19(16-28)7-9-20/h6-9,14-15,21-22H,3-5,10-13H2,1-2H3,(H,29,30,31)
Synonyms:	4-{1-[(5M)-4-cyclobutyl-2-methyl-5-(5-methyl-4H-1,2,4-triazol-3-yl)benzene-1-carbonyl]piperidin-4-yl}benzonitrile
Definition date:	2022-10-28
Last modified:	2023-05-19
Release date:	2023-05-24
Identifier:	4-{1-[(5M)-4-cyclobutyl-2-methyl-5-(5-methyl-4H-1,2,4-triazol-3-yl)benzene-1-carbonyl]piperidin-4-yl}benzonitrile

UIK

UIK
Name:	[4-[4-[methyl-[(3-methylphenyl)methyl]amino]-7~{H}-pyrrolo[2,3-d]pyrimidin-6-yl]phenyl]methanol
Formula:	C22 H22 N4 O
SMILES:	CN(Cc1cccc(C)c1)c2ncnc3[nH]c(cc23)c4ccc(CO)cc4
InChi:	InChI=1S/C22H22N4O/c1-15-4-3-5-17(10-15)12-26(2)22-19-11-20(25-21(19)23-14-24-22)18-8-6-16(13-27)7-9-18/h3-11,14,27H,12-13H2,1-2H3,(H,23,24,25)
Definition date:	2023-02-06
Last modified:	2023-05-19
Release date:	2023-05-24
Identifier:	[4-[4-[methyl-[(3-methylphenyl)methyl]amino]-7~{H}-pyrrolo[2,3-d]pyrimidin-6-yl]phenyl]methanol

80J

80J
Name:	2'-deoxy-2'-fluorocytidine 5'-(tetrahydrogen triphosphate)
Formula:	C9 H15 F N3 O13 P3
SMILES:	O=P(O)(O)OP(=O)(O)OP(=O)(O)OCC1OC(N2C=CC(N)=NC2=O)C(F)C1O
InChi:	InChI=1S/C9H15FN3O13P3/c10-6-7(14)4(24-8(6)13-2-1-5(11)12-9(13)15)3-23-28(19,20)26-29(21,22)25-27(16,17)18/h1-2,4,6-8,14H,3H2,(H,19,20)(H,21,22)(H2,11,12,15)(H2,16,17,18)/t4-,6-,7-,8-/m1/s1
Definition date:	2021-08-24
Last modified:	2023-05-19
Release date:	2023-05-24
Identifier:	2'-deoxy-2'-fluorocytidine 5'-(tetrahydrogen triphosphate)

K8U

K8U
Name:	[(2~{S})-2-hexadecanoyloxy-3-[[(2~{R})-3-[[(2~{S})-3-[(5~{E},8~{E},11~{Z},14~{E})-icosa-5,8,11,14-tetraenoyl]oxy-2-[(9~{E},12~{Z})-octadeca-9,12-dienoyl]oxy-propoxy]-oxidanyl-phosphoryl]oxy-2-oxidanyl-propoxy]-oxidanyl-phosphoryl]oxy-propyl] icosanoate
Formula:	C83 H150 O17 P2
SMILES:	CCCCCCCCCCCCCCCCCCCC(=O)OC[CH](CO[P](O)(=O)OC[CH](O)CO[P](O)(=O)OC[CH](COC(=O)CCCC=CCC=CCC=CCC=CCCCCC)OC(=O)CCCCCCCC=CCC=CCCCCC)OC(=O)CCCCCCCCCCCCCCC
InChi:	InChI=1S/C83H150O17P2/c1-5-9-13-17-21-25-29-33-36-38-41-44-47-51-55-59-63-67-80(85)93-73-78(99-82(87)69-65-61-57-53-49-43-32-28-24-20-16-12-8-4)75-97-101(89,90)95-71-77(84)72-96-102(91,92)98-76-79(100-83(88)70-66-62-58-54-50-46-40-35-31-27-23-19-15-11-7-3)74-94-81(86)68-64-60-56-52-48-45-42-39-37-34-30-26-22-18-14-10-6-2/h22-23,26-27,34-35,37,40,42,45,52,56,77-79,84H,5-21,24-25,28-33,36,38-39,41,43-44,46-51,53-55,57-76H2,1-4H3,(H,89,90)(H,91,92)/b26-22+,27-23-,37-34-,40-35+,45-42+,56-52+/t77-,78+,79+/m1/s1
Definition date:	2022-09-12
Last modified:	2023-05-19
Release date:	2023-05-24
Identifier:	[(2~{S})-2-hexadecanoyloxy-3-[[(2~{R})-3-[[(2~{S})-3-[(5~{E},8~{E},11~{Z},14~{E})-icosa-5,8,11,14-tetraenoyl]oxy-2-[(9~{E},12~{Z})-octadeca-9,12-dienoyl]oxy-propoxy]-oxidanyl-phosphoryl]oxy-2-oxidanyl-propoxy]-oxidanyl-phosphoryl]oxy-propyl] icosanoate

1TK

1TK
Name:	4-amino-1-{2-deoxy-2-fluoro-5-O-[(R)-hydroxy{[(R)-hydroxy(phosphonooxy)phosphoryl]oxy}phosphoryl]-beta-D-arabinofuranosyl}pyrimidin-2(1H)-one
Formula:	C9 H15 F N3 O13 P3
SMILES:	O=P(O)(O)OP(=O)(O)OP(=O)(O)OCC1OC(N2C=CC(N)=NC2=O)C(F)C1O
InChi:	InChI=1S/C9H15FN3O13P3/c10-6-7(14)4(24-8(6)13-2-1-5(11)12-9(13)15)3-23-28(19,20)26-29(21,22)25-27(16,17)18/h1-2,4,6-8,14H,3H2,(H,19,20)(H,21,22)(H2,11,12,15)(H2,16,17,18)/t4-,6+,7-,8-/m1/s1
Definition date:	2021-06-25
Last modified:	2023-05-19
Release date:	2023-05-24
Identifier:	4-amino-1-{2-deoxy-2-fluoro-5-O-[(R)-hydroxy{[(R)-hydroxy(phosphonooxy)phosphoryl]oxy}phosphoryl]-beta-D-arabinofuranosyl}pyrimidin-2(1H)-one

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