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F3Y

F3Y
Name:	~{N}-[3-[(3-pentoxyphenyl)amino]phenyl]propanamide
Formula:	C20 H26 N2 O2
SMILES:	CCCCCOc1cccc(Nc2cccc(NC(=O)CC)c2)c1
InChi:	InChI=1S/C20H26N2O2/c1-3-5-6-13-24-19-12-8-11-18(15-19)21-16-9-7-10-17(14-16)22-20(23)4-2/h7-12,14-15,21H,3-6,13H2,1-2H3,(H,22,23)
Definition date:	2023-07-18
Last modified:	2024-09-27
Release date:	2023-12-13
Identifier:	~{N}-[3-[(3-pentoxyphenyl)amino]phenyl]propanamide

F4F

F4F
Name:	(5aS,6R,9S,9aS)-9-methyl-9-oxidanyl-1-oxidanylidene-6-propan-2-yl-3,5a,6,7,8,9a-hexahydro-2-benzoxepine-4-carboxylic acid
Formula:	C15 H22 O5
SMILES:	CC(C)[CH]1CC[C](C)(O)[CH]2[CH]1C=C(COC2=O)C(O)=O
InChi:	InChI=1S/C15H22O5/c1-8(2)10-4-5-15(3,19)12-11(10)6-9(13(16)17)7-20-14(12)18/h6,8,10-12,19H,4-5,7H2,1-3H3,(H,16,17)/t10-,11-,12-,15+/m1/s1
Definition date:	2020-03-23
Last modified:	2024-09-27
Release date:	2020-12-30
Identifier:	(5~{a}~{S},6~{R},9~{S},9~{a}~{S})-9-methyl-9-oxidanyl-1-oxidanylidene-6-propan-2-yl-3,5~{a},6,7,8,9~{a}-hexahydro-2-benzoxepine-4-carboxylic acid

F4P

F4P
Name:	1-[bis(4-fluorophenyl)methyl]-4-(1H-1,2,4-triazol-1-ylcarbonyl)piperazine
Formula:	C20 H19 F2 N5 O
SMILES:	O=C(N3CCN(C(c1ccc(F)cc1)c2ccc(F)cc2)CC3)n4ncnc4
InChi:	InChI=1S/C20H19F2N5O/c21-17-5-1-15(2-6-17)19(16-3-7-18(22)8-4-16)25-9-11-26(12-10-25)20(28)27-14-23-13-24-27/h1-8,13-14,19H,9-12H2
Definition date:	2009-09-28
Last modified:	2024-09-27
Identifier:	{4-[bis(4-fluorophenyl)methyl]piperazin-1-yl}(1H-1,2,4-triazol-1-yl)methanone

F5L

F5L
Name:	(1R,2S)-1-hydroxy-2-{[N-({[7-(2-methylpropanoyl)-7-azaspiro[3.5]nonan-2-yl]oxy}carbonyl)-L-leucyl]amino}-3-[(3S)-2-oxopyrrolidin-3-yl]propane-1-sulfonic acid
Formula:	C26 H44 N4 O9 S
SMILES:	O=C1NCCC1CC(NC(=O)C(CC(C)C)NC(=O)OC1CC2(CCN(CC2)C(=O)C(C)C)C1)C(O)S(=O)(=O)O
InChi:	InChI=1S/C26H44N4O9S/c1-15(2)11-19(22(32)28-20(24(34)40(36,37)38)12-17-5-8-27-21(17)31)29-25(35)39-18-13-26(14-18)6-9-30(10-7-26)23(33)16(3)4/h15-20,24,34H,5-14H2,1-4H3,(H,27,31)(H,28,32)(H,29,35)(H,36,37,38)/t17-,19-,20-,24+/m0/s1
Definition date:	2021-12-14
Last modified:	2024-09-27
Release date:	2021-12-22
Identifier:	(1R,2S)-1-hydroxy-2-{[N-({[7-(2-methylpropanoyl)-7-azaspiro[3.5]nonan-2-yl]oxy}carbonyl)-L-leucyl]amino}-3-[(3S)-2-oxopyrrolidin-3-yl]propane-1-sulfonic acid

F62

F62
Name:	N-[3-[2-[[2-methoxy-4-(4-methylpiperazin-1-yl)phenyl]amino]-5-methyl-7-oxidanylidene-pyrido[2,3-d]pyrimidin-8-yl]phenyl]prop-2-enamide
Formula:	C29 H31 N7 O3
SMILES:	COc1cc(ccc1Nc2ncc3C(=CC(=O)N(c4cccc(NC(=O)C=C)c4)c3n2)C)N5CCN(C)CC5
InChi:	InChI=1S/C29H31N7O3/c1-5-26(37)31-20-7-6-8-22(16-20)36-27(38)15-19(2)23-18-30-29(33-28(23)36)32-24-10-9-21(17-25(24)39-4)35-13-11-34(3)12-14-35/h5-10,15-18H,1,11-14H2,2-4H3,(H,31,37)(H,30,32,33)
Definition date:	2016-09-30
Last modified:	2024-09-27
Release date:	2017-06-28
Identifier:	~{N}-[3-[2-[[2-methoxy-4-(4-methylpiperazin-1-yl)phenyl]amino]-5-methyl-7-oxidanylidene-pyrido[2,3-d]pyrimidin-8-yl]phenyl]prop-2-enamide

F6K

F6K
Name:	Homosalinosporamide A - bound form
Formula:	C16 H24 Cl N O4
SMILES:	C[C]1(O)[CH](CCCCl)C(=O)N[C]1(C=O)[CH](O)[CH]2CCCC=C2
InChi:	InChI=1S/C16H24ClNO4/c1-15(22)12(8-5-9-17)14(21)18-16(15,10-19)13(20)11-6-3-2-4-7-11/h3,6,10-13,20,22H,2,4-5,7-9H2,1H3,(H,18,21)/t11-,12+,13+,15+,16-/m1/s1
Definition date:	2018-06-02
Last modified:	2024-09-27
Release date:	2018-08-01
Identifier:	(2~{R},3~{S},4~{R})-4-(3-chloranylpropyl)-2-[(~{S})-[(1~{S})-cyclohex-2-en-1-yl]-oxidanyl-methyl]-3-methyl-3-oxidanyl-5-oxidanylidene-pyrrolidine-2-carbaldehyde

F6M

F6M
Name:	N-[(2S)-1-[5-[2-[(4-cyanophenyl)amino]-4-(propylamino)pyrimidin-5-yl]pent-4-ynylamino]-1-oxidanylidene-propan-2-yl]-4-(dimethylamino)-N-methyl-but-2-enamide
Formula:	C29 H38 N8 O2
SMILES:	CCCNc1nc(Nc2ccc(cc2)C#N)ncc1C#CCCCNC(=O)[CH](C)N(C)C(=O)C=CCN(C)C
InChi:	InChI=1S/C29H38N8O2/c1-6-17-31-27-24(21-33-29(35-27)34-25-15-13-23(20-30)14-16-25)11-8-7-9-18-32-28(39)22(2)37(5)26(38)12-10-19-36(3)4/h10,12-16,21-22H,6-7,9,17-19H2,1-5H3,(H,32,39)(H2,31,33,34,35)/b12-10+/t22-/m0/s1
Definition date:	2017-01-24
Last modified:	2024-09-27
Release date:	2018-01-24
Identifier:	~{N}-[(2~{S})-1-[5-[2-[(4-cyanophenyl)amino]-4-(propylamino)pyrimidin-5-yl]pent-4-ynylamino]-1-oxidanylidene-propan-2-yl]-4-(dimethylamino)-~{N}-methyl-but-2-enamide

F6N

F6N
Name:	2-(aminomethyl)-1,3-oxazole-4-carboxylic acid
Formula:	C5 H6 N2 O3
SMILES:	NCc1occ(n1)C(O)=O
InChi:	InChI=1S/C5H6N2O3/c6-1-4-7-3(2-10-4)5(8)9/h2H,1,6H2,(H,8,9)
Definition date:	2018-06-04
Last modified:	2024-09-27
Release date:	2019-01-30
Identifier:	2-(aminomethyl)-1,3-oxazole-4-carboxylic acid

F6R

F6R
Name:	FRUCTOSE -6-PHOSPHATE
Formula:	C6 H13 O9 P
SMILES:	C(C(C(C(C(COP(O)(O)=O)O)O)O)=O)O
InChi:	InChI=1S/C6H13O9P/c7-1-3(8)5(10)6(11)4(9)2-15-16(12,13)14/h4-7,9-11H,1-2H2,(H2,12,13,14)/t4-,5-,6-/m1/s1
Definition date:	2005-02-21
Last modified:	2024-09-27
Identifier:	6-O-phosphono-D-fructose

F75

F75
Name:	2-(aminomethyl)-1,3-thiazole-4-carboxylic acid
Formula:	C5 H6 N2 O2 S
SMILES:	NCc1scc(n1)C(O)=O
InChi:	InChI=1S/C5H6N2O2S/c6-1-4-7-3(2-10-4)5(8)9/h2H,1,6H2,(H,8,9)
Definition date:	2018-06-05
Last modified:	2024-09-27
Release date:	2019-01-30
Identifier:	2-(aminomethyl)-1,3-thiazole-4-carboxylic acid

F7C

F7C
Name:	(2~{S})-2-oxidanyl-3-oxidanylidene-butanedioic acid
Formula:	C4 H4 O6
SMILES:	O[CH](C(O)=O)C(=O)C(O)=O
InChi:	InChI=1S/C4H4O6/c5-1(3(7)8)2(6)4(9)10/h1,5H,(H,7,8)(H,9,10)/t1-/m0/s1
Definition date:	2020-04-06
Last modified:	2024-09-27
Release date:	2020-07-15
Identifier:	(2~{S})-2-oxidanyl-3-oxidanylidene-butanedioic acid

F7P

F7P
Name:	1-[(3R)-3-hydroxy-2-methylbutan-2-yl]-L-tryptophan
Formula:	C16 H22 N2 O3
SMILES:	C(C(N)C(O)=O)c2c1ccccc1n(c2)C(C(C)O)(C)C
InChi:	InChI=1S/C16H22N2O3/c1-10(19)16(2,3)18-9-11(8-13(17)15(20)21)12-6-4-5-7-14(12)18/h4-7,9-10,13,19H,8,17H2,1-3H3,(H,20,21)/t10-,13+/m1/s1
Definition date:	2018-03-09
Last modified:	2024-09-27
Release date:	2019-06-05
Identifier:	1-[(3R)-3-hydroxy-2-methylbutan-2-yl]-L-tryptophan

F7Q

F7Q
Name:	(2~{S})-2-azanyl-3-[1-(dioxidanyl)-4-oxidanylidene-cyclohexa-2,5-dien-1-yl]propanoic acid
Formula:	C9 H11 N O5
SMILES:	N[CH](CC1(OO)C=CC(=O)C=C1)C(O)=O
InChi:	InChI=1S/C9H11NO5/c10-7(8(12)13)5-9(15-14)3-1-6(11)2-4-9/h1-4,7,14H,5,10H2,(H,12,13)/t7-/m0/s1
Definition date:	2018-06-07
Last modified:	2024-09-27
Release date:	2019-02-27
Identifier:	(2~{S})-2-azanyl-3-[1-(dioxidanyl)-4-oxidanylidene-cyclohexa-2,5-dien-1-yl]propanoic acid

F7S

F7S
Name:	(4S)-5-hydroxy-N-methyl-L-leucine
Formula:	C7 H15 N O3
SMILES:	CNC(CC(C)CO)C(O)=O
InChi:	InChI=1S/C7H15NO3/c1-5(4-9)3-6(8-2)7(10)11/h5-6,8-9H,3-4H2,1-2H3,(H,10,11)/t5-,6-/m0/s1
Definition date:	2018-03-09
Last modified:	2024-09-27
Release date:	2019-06-05
Identifier:	(4S)-5-hydroxy-N-methyl-L-leucine

F7W

F7W
Name:	7-Fluorotryptophan
Formula:	C11 H11 F N2 O2
SMILES:	N[CH](Cc1c[nH]c2c(F)cccc12)C(O)=O
InChi:	InChI=1S/C11H11FN2O2/c12-8-3-1-2-7-6(5-14-10(7)8)4-9(13)11(15)16/h1-3,5,9,14H,4,13H2,(H,15,16)/t9-/m0/s1
Definition date:	2017-06-09
Last modified:	2024-09-27
Release date:	2018-06-06
Identifier:	(2~{S})-2-azanyl-3-(7-fluoranyl-1~{H}-indol-3-yl)propanoic acid

F86

F86
Name:	[(2~{R},3~{S},4~{R},5~{R})-5-(4-azanylpyrrolo[2,1-f][1,2,4]triazin-7-yl)-5-cyano-3,4-bis(oxidanyl)oxolan-2-yl]methyl dihydrogen phosphate
Formula:	C12 H14 N5 O7 P
SMILES:	OP(=O)(O)OCC1OC(C#N)(C(O)C1O)c1ccc2c(N)ncnn21
InChi:	InChI=1S/C12H14N5O7P/c13-4-12(8-2-1-6-11(14)15-5-16-17(6)8)10(19)9(18)7(24-12)3-23-25(20,21)22/h1-2,5,7,9-10,18-19H,3H2,(H2,14,15,16)(H2,20,21,22)/t7-,9-,10-,12+/m1/s1
Synonyms:	Remdesivir, bound form
Definition date:	2020-04-14
Last modified:	2024-09-27
Release date:	2020-04-22
Identifier:	{(2R,3S,4R,5R)-5-[(8R)-4-aminopyrrolo[2,1-f][1,2,4]triazin-7-yl]-5-cyano-3,4-dihydroxyoxolan-2-yl}methyl dihydrogen phosphate (non-preferred name)

F8C

F8C
Name:	(1S,2S)-1-hydroxy-2-{[N-({[7-(2-methylpropanoyl)-7-azaspiro[3.5]nonan-2-yl]oxy}carbonyl)-L-leucyl]amino}-3-[(3S)-2-oxopyrrolidin-3-yl]propane-1-sulfonic acid
Formula:	C26 H44 N4 O9 S
SMILES:	O=C1NCCC1CC(NC(=O)C(CC(C)C)NC(=O)OC1CC2(CCN(CC2)C(=O)C(C)C)C1)C(O)S(=O)(=O)O
InChi:	InChI=1S/C26H44N4O9S/c1-15(2)11-19(22(32)28-20(24(34)40(36,37)38)12-17-5-8-27-21(17)31)29-25(35)39-18-13-26(14-18)6-9-30(10-7-26)23(33)16(3)4/h15-20,24,34H,5-14H2,1-4H3,(H,27,31)(H,28,32)(H,29,35)(H,36,37,38)/t17-,19-,20-,24-/m0/s1
Definition date:	2021-12-14
Last modified:	2024-09-27
Release date:	2021-12-22
Identifier:	(1S,2S)-1-hydroxy-2-{[N-({[7-(2-methylpropanoyl)-7-azaspiro[3.5]nonan-2-yl]oxy}carbonyl)-L-leucyl]amino}-3-[(3S)-2-oxopyrrolidin-3-yl]propane-1-sulfonic acid

F8F

F8F
Name:	(2S,5S)-5-azanyl-3,4,6-tris(oxidanyl)oxane-2-carboxylic acid
Formula:	C6 H11 N O6
SMILES:	N[CH]1[CH](O)O[CH]([CH](O)[CH]1O)C(O)=O
InChi:	InChI=1S/C6H11NO6/c7-1-2(8)3(9)4(5(10)11)13-6(1)12/h1-4,6,8-9,12H,7H2,(H,10,11)/t1-,2-,3+,4-,6-/m0/s1
Definition date:	2020-04-14
Last modified:	2024-09-27
Release date:	2020-11-18
Identifier:	(2~{S},5~{S})-5-azanyl-3,4,6-tris(oxidanyl)oxane-2-carboxylic acid

F8O

F8O
Name:	(2~{R},4~{R})-2,4-dimethyloctanal
Formula:	C10 H20 O2
SMILES:	CCCC[CH](C)C[CH](C)C(O)=O
InChi:	InChI=1S/C10H20O2/c1-4-5-6-8(2)7-9(3)10(11)12/h8-9H,4-7H2,1-3H3,(H,11,12)/t8-,9-/m1/s1
Definition date:	2023-07-19
Last modified:	2024-09-27
Release date:	2024-05-08
Identifier:	(2~{R},4~{R})-2,4-dimethyloctanoic acid

F93

F93
Name:	(2R,3S)-2-azanyl-3-(3-chloranyl-4-oxidanyl-phenyl)-3-oxidanyl-propanoic acid
Formula:	C9 H10 Cl N O4
SMILES:	N[CH]([CH](O)c1ccc(O)c(Cl)c1)C(O)=O
InChi:	InChI=1S/C9H10ClNO4/c10-5-3-4(1-2-6(5)12)8(13)7(11)9(14)15/h1-3,7-8,12-13H,11H2,(H,14,15)/t7-,8+/m1/s1
Definition date:	2020-04-16
Last modified:	2024-09-27
Release date:	2020-11-18
Identifier:	(2~{R},3~{S})-2-azanyl-3-(3-chloranyl-4-oxidanyl-phenyl)-3-oxidanyl-propanoic acid

F9V

F9V
Name:	(2S)-2-phenylbutanedioic acid
Formula:	C10 H10 O4
SMILES:	O=C(O)C(c1ccccc1)CC(=O)O
InChi:	InChI=1S/C10H10O4/c11-9(12)6-8(10(13)14)7-4-2-1-3-5-7/h1-5,8H,6H2,(H,11,12)(H,13,14)/t8-/m0/s1
Definition date:	2014-07-23
Last modified:	2024-09-27
Release date:	2014-08-20
Identifier:	(2S)-2-phenylbutanedioic acid

FA8

FA8
Name:	[[(2R,3S,4S)-5-[(4AS)-7,8-DIMETHYL-2,4-DIOXO-4A,5-DIHYDROBENZO[G]PTERIDIN-10-YL]-2,3,4-TRIHYDROXY-PENTOXY]-HYDROXY-PHOSPHORYL] [(2R,3S,4R,5R)-5-(6-AMINOPURIN-9-YL)-3,4-DIHYDROXY-OXOLAN-2-YL]METHYL HYDROGEN PHOSPHATE
Formula:	C27 H35 N9 O15 P2
SMILES:	O=C2NC(=O)N=C3N(c1cc(c(cc1NC23)C)C)CC(O)C(O)C(O)COP(=O)(O)OP(=O)(O)OCC6OC(n5cnc4c(ncnc45)N)C(O)C6O
InChi:	InChI=1S/C27H35N9O15P2/c1-10-3-12-13(4-11(10)2)35(24-18(32-12)25(42)34-27(43)33-24)5-14(37)19(39)15(38)6-48-52(44,45)51-53(46,47)49-7-16-20(40)21(41)26(50-16)36-9-31-17-22(28)29-8-30-23(17)36/h3-4,8-9,14-16,18-21,26,32,37-41H,5-7H2,1-2H3,(H,44,45)(H,46,47)(H2,28,29,30)(H,34,42,43)/t14-,15+,16+,18-,19-,20+,21+,26+/m0/s1
Definition date:	2010-04-23
Last modified:	2024-09-27
Identifier:	[(2R,3S,4R,5R)-5-(6-amino-9H-purin-9-yl)-3,4-dihydroxytetrahydrofuran-2-yl]methyl (2R,3S,4S)-5-[(4aS)-7,8-dimethyl-2,4-dioxo-3,4,4a,5-tetrahydrobenzo[g]pteridin-10(2H)-yl]-2,3,4-trihydroxypentyl dihydrogen diphosphate (non-preferred name)

FAA

FAA
Name:	N5-(4-HYDROXYBENZYL)FLAVIN-ADENINE DINUCLEOTIDE
Formula:	C34 H39 N9 O16 P2
SMILES:	Cc1cc2N(C[CH](O)[CH](O)[CH](O)CO[P]([O-])(=O)O[P](O)(=O)OC[CH]3O[CH]([CH](O)[CH]3O)n4cnc5c(N)ncnc45)C6=NC(=O)NC(=O)C6=[N+](Cc7ccc(O)cc7)c2cc1C
InChi:	InChI=1S/C34H39N9O16P2/c1-15-7-19-20(8-16(15)2)42(31-25(32(50)40-34(51)39-31)41(19)9-17-3-5-18(44)6-4-17)10-21(45)26(47)22(46)11-56-60(52,53)59-61(54,55)57-12-23-27(48)28(49)33(58-23)43-14-38-24-29(35)36-13-37-30(24)43/h3-8,13-14,21-23,26-28,33,45-49H,9-12H2,1-2H3,(H5-,35,36,37,40,44,50,51,52,53,54,55)/t21-,22+,23+,26-,27+,28+,33+/m0/s1
Definition date:	1999-07-08
Last modified:	2024-09-27
Identifier:	[[(2R,3S,4R,5R)-5-(6-aminopurin-9-yl)-3,4-dihydroxy-oxolan-2-yl]methoxy-hydroxy-phosphoryl] [(2R,3S,4S)-2,3,4-trihydroxy-5-[5-[(4-hydroxyphenyl)methyl]-7,8-dimethyl-2,4-dioxo-benzo[g]pteridin-5-ium-10-yl]pentyl] phosphate

FAD

FAD
Name:	FLAVIN-ADENINE DINUCLEOTIDE
Formula:	C27 H33 N9 O15 P2
SMILES:	O=C2C3=Nc1cc(c(cc1N(C3=NC(=O)N2)CC(O)C(O)C(O)COP(=O)(O)OP(=O)(O)OCC6OC(n5cnc4c(ncnc45)N)C(O)C6O)C)C
InChi:	InChI=1S/C27H33N9O15P2/c1-10-3-12-13(4-11(10)2)35(24-18(32-12)25(42)34-27(43)33-24)5-14(37)19(39)15(38)6-48-52(44,45)51-53(46,47)49-7-16-20(40)21(41)26(50-16)36-9-31-17-22(28)29-8-30-23(17)36/h3-4,8-9,14-16,19-21,26,37-41H,5-7H2,1-2H3,(H,44,45)(H,46,47)(H2,28,29,30)(H,34,42,43)/t14-,15+,16+,19-,20+,21+,26+/m0/s1
Definition date:	1999-07-08
Last modified:	2024-09-27
Identifier:	[(2R,3S,4R,5R)-5-(6-amino-9H-purin-9-yl)-3,4-dihydroxytetrahydrofuran-2-yl]methyl (2R,3S,4S)-5-(7,8-dimethyl-2,4-dioxo-3,4-dihydrobenzo[g]pteridin-10(2H)-yl)-2,3,4-trihydroxypentyl dihydrogen diphosphate (non-preferred name)

FAF

FAF
Name:	2-ACETYLAMINO-4-METHYL-PENTANOIC ACID (1-FORMYL-2-PHENYL-ETHYL)-AMIDE
Formula:	C17 H24 N2 O3
SMILES:	O=C(NC(C(=O)NC(C=O)Cc1ccccc1)CC(C)C)C
InChi:	InChI=1S/C17H24N2O3/c1-12(2)9-16(18-13(3)21)17(22)19-15(11-20)10-14-7-5-4-6-8-14/h4-8,11-12,15-16H,9-10H2,1-3H3,(H,18,21)(H,19,22)/t15-,16-/m0/s1
Definition date:	2000-08-30
Last modified:	2024-09-27
Identifier:	N~2~-acetyl-N-[(1S)-1-benzyl-2-oxoethyl]-L-leucinamide

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