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C36

C36
Name:	5-METHYL-5-FLUORO-2'-DEOXY-CYTIDINE-5'-MONOPHOSPHATE
Formula:	C10 H17 F N3 O8 P
SMILES:	O=C1N=C(N)C(F)(CN1C2OC(C(O)C2)COP(=O)(O)O)CO
InChi:	InChI=1S/C10H17FN3O8P/c11-10(4-15)3-14(9(17)13-8(10)12)7-1-5(16)6(22-7)2-21-23(18,19)20/h5-7,15-16H,1-4H2,(H2,12,13,17)(H2,18,19,20)/t5-,6+,7+,10+/m0/s1
Definition date:	1995-06-03
Last modified:	2024-09-27
Identifier:	2'-deoxy-5-fluoro-5-(hydroxymethyl)cytidine 5'-(dihydrogen phosphate)

E2V

E2V
Name:	(2R)-2-(hexadecanoyloxy)propyl nonadecanoate
Formula:	C38 H74 O4
SMILES:	C(CCCCCCCCC(=O)OCC(OC(CCCCCCCCCCCCCCC)=O)C)CCCCCCCCC
InChi:	InChI=1S/C38H74O4/c1-4-6-8-10-12-14-16-18-19-20-22-23-25-27-29-31-33-37(39)41-35-36(3)42-38(40)34-32-30-28-26-24-21-17-15-13-11-9-7-5-2/h36H,4-35H2,1-3H3/t36-/m1/s1
Definition date:	2017-11-29
Last modified:	2024-09-27
Release date:	2020-09-30
Identifier:	(2R)-2-(hexadecanoyloxy)propyl nonadecanoate

E3A

E3A
Name:	1-({(1R,5S,6r)-6-[1-(4-fluorophenyl)-1H-pyrazol-3-yl]-3-azabicyclo[3.1.0]hexane-3-carbonyl}oxy)pyrrolidine-2,5-dione
Formula:	C19 H17 F N4 O4
SMILES:	N4(CC3C(c1nn(cc1)c2ccc(cc2)F)C3C4)C(ON5C(CCC5=O)=O)=O
InChi:	InChI=1S/C19H17FN4O4/c20-11-1-3-12(4-2-11)23-8-7-15(21-23)18-13-9-22(10-14(13)18)19(27)28-24-16(25)5-6-17(24)26/h1-4,7-8,13-14,18H,5-6,9-10H2/t13-,14+,18+
Definition date:	2017-11-29
Last modified:	2024-09-27
Release date:	2018-03-14
Identifier:	1-({(1R,5S,6r)-6-[1-(4-fluorophenyl)-1H-pyrazol-3-yl]-3-azabicyclo[3.1.0]hexane-3-carbonyl}oxy)pyrrolidine-2,5-dione

E3J

E3J
Name:	~{N}-(2-morpholin-4-ylethyl)-2-sulfanyl-benzamide
Formula:	C13 H18 N2 O2 S
SMILES:	Sc1ccccc1C(=O)NCCN2CCOCC2
InChi:	InChI=1S/C13H18N2O2S/c16-13(11-3-1-2-4-12(11)18)14-5-6-15-7-9-17-10-8-15/h1-4,18H,5-10H2,(H,14,16)
Definition date:	2021-12-23
Last modified:	2024-09-27
Release date:	2022-11-23
Identifier:	~{N}-(2-morpholin-4-ylethyl)-2-sulfanyl-benzamide

E47

E47
Name:	5-(4-morpholin-4-yl-7H-pyrrolo[2,3-d]pyrimidin-5-yl)-2-oxidanyl-benzaldehyde
Formula:	C17 H16 N4 O3
SMILES:	Oc1ccc(cc1C=O)c2c[nH]c3ncnc(N4CCOCC4)c23
InChi:	InChI=1S/C17H16N4O3/c22-9-12-7-11(1-2-14(12)23)13-8-18-16-15(13)17(20-10-19-16)21-3-5-24-6-4-21/h1-2,7-10,23H,3-6H2,(H,18,19,20)
Definition date:	2023-06-13
Last modified:	2024-09-27
Release date:	2023-10-18
Identifier:	5-(4-morpholin-4-yl-7~{H}-pyrrolo[2,3-d]pyrimidin-5-yl)-2-oxidanyl-benzaldehyde

E5U

E5U
Name:	2-methoxypropanedioic acid
Formula:	C4 H6 O5
SMILES:	COC(C(O)=O)C(O)=O
InChi:	InChI=1S/C4H6O5/c1-9-2(3(5)6)4(7)8/h2H,1H3,(H,5,6)(H,7,8)
Definition date:	2019-10-23
Last modified:	2024-09-27
Release date:	2019-12-18
Identifier:	2-methoxypropanedioic acid

E5X

E5X
Name:	4-(hydroxymethyl)benzoic acid
Formula:	C8 H8 O3
SMILES:	OCc1ccc(cc1)C(O)=O
InChi:	InChI=1S/C8H8O3/c9-5-6-1-3-7(4-2-6)8(10)11/h1-4,9H,5H2,(H,10,11)
Definition date:	2019-10-24
Last modified:	2024-09-27
Release date:	2020-07-15
Identifier:	4-(hydroxymethyl)benzoic acid

E62

E62
Name:	(3S,4R,8S,9S,11E)-8,9,16-trihydroxy-3,4-dimethyl-14-(methylamino)-3,4,5,6,9,10-hexahydro-1H-2-benzoxacyclotetradecine-1,7(8H)-dione
Formula:	C20 H27 N O6
SMILES:	CC1C(OC(c2c(C=CCC(C(C(CC1)=O)O)O)cc(NC)cc2O)=O)C
InChi:	InChI=1S/C20H27NO6/c1-11-7-8-16(23)19(25)15(22)6-4-5-13-9-14(21-3)10-17(24)18(13)20(26)27-12(11)2/h4-5,9-12,15,19,21-22,24-25H,6-8H2,1-3H3/b5-4+/t11-,12+,15+,19+/m1/s1
Definition date:	2016-02-08
Last modified:	2024-09-27
Release date:	2017-05-03
Identifier:	(3S,4R,8S,9S,11E)-8,9,16-trihydroxy-3,4-dimethyl-14-(methylamino)-3,4,5,6,9,10-hexahydro-1H-2-benzoxacyclotetradecine-1,7(8H)-dione

E69

E69
Name:	N~2~-[(3S)-4-({(2R)-1-[(4-carbamimidamidobutyl)amino]-4-methyl-1-oxopentan-2-yl}amino)-3-hydroxy-4-oxobutanoyl]-L-arginyl-L-prolinamide
Formula:	C26 H49 N11 O6
SMILES:	O=C(N)C1N(C(=O)C(NC(=O)CC(O)C(=O)NC(C(=O)NCCCCNC(=[N@H])N)CC(C)C)CCCNC(=[N@H])N)CCC1
InChi:	InChI=1S/C26H49N11O6/c1-15(2)13-17(22(41)32-9-3-4-10-33-25(28)29)36-23(42)19(38)14-20(39)35-16(7-5-11-34-26(30)31)24(43)37-12-6-8-18(37)21(27)40/h15-19,38H,3-14H2,1-2H3,(H2,27,40)(H,32,41)(H,35,39)(H,36,42)(H4,28,29,33)(H4,30,31,34)/t16-,17+,18-,19-/m0/s1
Definition date:	2014-05-15
Last modified:	2024-09-27
Release date:	2014-11-05
Identifier:	N~2~-[(3S)-4-({(2R)-1-[(4-carbamimidamidobutyl)amino]-4-methyl-1-oxopentan-2-yl}amino)-3-hydroxy-4-oxobutanoyl]-L-arginyl-L-prolinamide

E6D

E6D
Name:	ethyl (3S)-3-hydroxy-4-({(2S)-4-methyl-1-[(3-methylbutyl)amino]-1-oxopentan-2-yl}amino)-4-oxobutanoate
Formula:	C17 H32 N2 O5
SMILES:	CC(C)CCNC(=O)C(CC(C)C)NC(=O)C(O)CC(=O)OCC
InChi:	InChI=1S/C17H32N2O5/c1-6-24-15(21)10-14(20)17(23)19-13(9-12(4)5)16(22)18-8-7-11(2)3/h11-14,20H,6-10H2,1-5H3,(H,18,22)(H,19,23)/t13-,14-/m0/s1
Definition date:	2015-12-01
Last modified:	2024-09-27
Release date:	2016-04-13
Identifier:	ethyl (3S)-3-hydroxy-4-({(2S)-4-methyl-1-[(3-methylbutyl)amino]-1-oxopentan-2-yl}amino)-4-oxobutanoate

E6F

E6F
Name:	(1~{S},2~{S})-2-azanylcyclohexane-1-carboxylic acid
Formula:	C7 H13 N O2
SMILES:	N[CH]1CCCC[CH]1C(O)=O
InChi:	InChI=1S/C7H13NO2/c8-6-4-2-1-3-5(6)7(9)10/h5-6H,1-4,8H2,(H,9,10)/t5-,6-/m0/s1
Definition date:	2019-10-29
Last modified:	2024-09-27
Release date:	2020-09-02
Identifier:	(1~{S},2~{S})-2-azanylcyclohexane-1-carboxylic acid

E7P

E7P
Name:	(2S)-2-amino-4-phosphonobutanoic acid
Formula:	C4 H10 N O5 P
SMILES:	OP(=O)(CCC(C(O)=O)N)O
InChi:	InChI=1S/C4H10NO5P/c5-3(4(6)7)1-2-11(8,9)10/h3H,1-2,5H2,(H,6,7)(H2,8,9,10)/t3-/m0/s1
Definition date:	2017-12-06
Last modified:	2024-09-27
Release date:	2018-02-07
Identifier:	(2S)-2-amino-4-phosphonobutanoic acid

E87

E87
Name:	(2R)-3-{[(2R)-2-(decanoylamino)-3-hydroxypropyl]sulfanyl}propane-1,2-diyl ditetradecanoate
Formula:	C44 H85 N O6 S
SMILES:	C(CCCCCCCC)C(NC(CO)CSCC(OC(CCCCCCCCCCCCC)=O)COC(=O)CCCCCCCCCCCCC)=O
InChi:	InChI=1S/C44H85NO6S/c1-4-7-10-13-16-18-20-22-25-28-31-34-43(48)50-37-41(51-44(49)35-32-29-26-23-21-19-17-14-11-8-5-2)39-52-38-40(36-46)45-42(47)33-30-27-24-15-12-9-6-3/h40-41,46H,4-39H2,1-3H3,(H,45,47)/t40-,41-/m1/s1
Definition date:	2017-12-07
Last modified:	2024-09-27
Release date:	2018-05-09
Identifier:	(2R)-3-{[(2R)-2-(decanoylamino)-3-hydroxypropyl]sulfanyl}propane-1,2-diyl ditetradecanoate

E8E

E8E
Name:	(2~{S})-4-methyl-~{N}-[(2~{S},3~{R})-3-oxidanyl-4-oxidanylidene-1-[(3~{S})-2-oxidanylidenepyrrolidin-3-yl]-4-[(phenylmethyl)amino]butan-2-yl]-2-[[(~{E})-3-phenylprop-2-enoyl]amino]pentanamide
Formula:	C30 H38 N4 O5
SMILES:	CC(C)C[CH](NC(=O)C=Cc1ccccc1)C(=O)N[CH](C[CH]2CCNC2=O)[CH](O)C(=O)NCc3ccccc3
InChi:	InChI=1S/C30H38N4O5/c1-20(2)17-25(33-26(35)14-13-21-9-5-3-6-10-21)29(38)34-24(18-23-15-16-31-28(23)37)27(36)30(39)32-19-22-11-7-4-8-12-22/h3-14,20,23-25,27,36H,15-19H2,1-2H3,(H,31,37)(H,32,39)(H,33,35)(H,34,38)/b14-13+/t23-,24-,25-,27+/m0/s1
Definition date:	2018-03-01
Last modified:	2024-09-27
Release date:	2019-03-20
Identifier:	(2~{S})-4-methyl-~{N}-[(2~{S},3~{R})-3-oxidanyl-4-oxidanylidene-1-[(3~{S})-2-oxidanylidenepyrrolidin-3-yl]-4-[(phenylmethyl)amino]butan-2-yl]-2-[[(~{E})-3-phenylprop-2-enoyl]amino]pentanamide

E8N

E8N
Name:	1-ethyl-1-methyl-cyclohexane
Formula:	C9 H18
SMILES:	CCC1(C)CCCCC1
InChi:	InChI=1S/C9H18/c1-3-9(2)7-5-4-6-8-9/h3-8H2,1-2H3
Definition date:	2018-03-04
Last modified:	2024-09-27
Release date:	2019-03-20
Identifier:	1-ethyl-1-methyl-cyclohexane

E8Y

E8Y
Name:	4-[3-(trifluoromethyl)anilino]-1,3-dihydro-2H-isoindole-2-carbonitrile
Formula:	C16 H12 F3 N3
SMILES:	FC(F)(F)c1cc(ccc1)Nc1cccc2CN(Cc21)C#N
InChi:	InChI=1S/C16H12F3N3/c17-16(18,19)12-4-2-5-13(7-12)21-15-6-1-3-11-8-22(10-20)9-14(11)15/h1-7,21H,8-9H2
Definition date:	2021-12-06
Last modified:	2024-09-27
Release date:	2023-06-14
Identifier:	4-[3-(trifluoromethyl)anilino]-1,3-dihydro-2H-isoindole-2-carbonitrile

E95

E95
Name:	7-Methyl-L-Tryptophan
Formula:	C12 H14 N2 O2
SMILES:	Cc1cccc2c(C[CH](N)C(O)=O)c[nH]c12
InChi:	InChI=1S/C12H14N2O2/c1-7-3-2-4-9-8(6-14-11(7)9)5-10(13)12(15)16/h2-4,6,10,14H,5,13H2,1H3,(H,15,16)/t10-/m0/s1
Definition date:	2018-03-06
Last modified:	2024-09-27
Release date:	2019-02-13
Identifier:	(2~{S})-2-azanyl-3-(7-methyl-1~{H}-indol-3-yl)propanoic acid

E9C

E9C
Name:	(2S)-2-azanyl-3-[3,4,6-tris(oxidanylidene)cyclohexen-1-yl]propanoic acid
Formula:	C9 H9 N O5
SMILES:	N[CH](CC1=CC(=O)C(=O)C(C1=O)([2H])[2H])C(O)=O
InChi:	InChI=1S/C9H9NO5/c10-5(9(14)15)1-4-2-7(12)8(13)3-6(4)11/h2,5H,1,3,10H2,(H,14,15)/t5-/m0/s1/i3D2
Definition date:	2019-11-22
Last modified:	2024-09-27
Release date:	2020-04-29
Identifier:	(2~{S})-2-azanyl-3-[3,4,6-tris(oxidanylidene)cyclohexen-1-yl]propanoic acid

E9H

E9H
Name:	hexadecyl dihydrogen phosphate
Formula:	C16 H35 O4 P
SMILES:	CCCCCCCCCCCCCCCCO[P](O)(O)=O
InChi:	InChI=1S/C16H35O4P/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-20-21(17,18)19/h2-16H2,1H3,(H2,17,18,19)
Definition date:	2018-03-06
Last modified:	2024-09-27
Release date:	2018-10-24
Identifier:	hexadecyl dihydrogen phosphate

E9M

E9M
Name:	N-methyl-L-tryptophan
Formula:	C12 H14 N2 O2
SMILES:	N(C)C(Cc1cnc2c1cccc2)C(=O)O
InChi:	InChI=1S/C12H14N2O2/c1-13-11(12(15)16)6-8-7-14-10-5-3-2-4-9(8)10/h2-5,7,11,13-14H,6H2,1H3,(H,15,16)/t11-/m0/s1
Definition date:	2017-12-14
Last modified:	2024-09-27
Release date:	2018-12-19
Identifier:	N-methyl-L-tryptophan

E9N

E9N
Name:	(2~{R})-2-(phenylmethylsulfanyl)butanedioic acid
Formula:	C11 H12 O4 S
SMILES:	OC(=O)C[CH](SCc1ccccc1)C(O)=O
InChi:	InChI=1S/C11H12O4S/c12-10(13)6-9(11(14)15)16-7-8-4-2-1-3-5-8/h1-5,9H,6-7H2,(H,12,13)(H,14,15)/t9-/m1/s1
Definition date:	2018-03-07
Last modified:	2024-09-27
Release date:	2018-03-21
Identifier:	(2~{R})-2-(phenylmethylsulfanyl)butanedioic acid

E9V

E9V
Name:	N-methyl-L-histidine
Formula:	C7 H11 N3 O2
SMILES:	CNC(Cc1cnc[NH]1)C(=O)O
InChi:	InChI=1S/C7H11N3O2/c1-8-6(7(11)12)2-5-3-9-4-10-5/h3-4,6,8H,2H2,1H3,(H,9,10)(H,11,12)/t6-/m0/s1
Definition date:	2017-12-14
Last modified:	2024-09-27
Release date:	2018-04-18
Identifier:	N-methyl-L-histidine

EAB

EAB
Name:	(3-{(E)-[3-(AMINOMETHYL)PHENYL]DIAZENYL}PHENYL)ACETIC ACID
Formula:	C15 H15 N3 O2
SMILES:	O=C(O)Cc2cccc(/N=N/c1cccc(c1)CN)c2
InChi:	InChI=1S/C15H15N3O2/c16-10-12-4-2-6-14(8-12)18-17-13-5-1-3-11(7-13)9-15(19)20/h1-8H,9-10,16H2,(H,19,20)/b18-17+
Definition date:	2006-06-01
Last modified:	2024-09-27
Identifier:	(3-{(E)-[3-(aminomethyl)phenyl]diazenyl}phenyl)acetic acid

EAI

EAI
Name:	~{O}1-methyl ~{O}3-(phenylmethyl) (1~{R},3~{S})-1-methyl-4-oxidanylidene-cyclohexane-1,3-dicarboxylate
Formula:	C17 H20 O5
SMILES:	COC(=O)[C]1(C)CCC(=O)[CH](C1)C(=O)OCc2ccccc2
InChi:	InChI=1S/C17H20O5/c1-17(16(20)21-2)9-8-14(18)13(10-17)15(19)22-11-12-6-4-3-5-7-12/h3-7,13H,8-11H2,1-2H3/t13-,17+/m0/s1
Definition date:	2023-07-18
Last modified:	2024-09-27
Release date:	2024-07-24
Identifier:	~{O}1-methyl ~{O}3-(phenylmethyl) (1~{R},3~{S})-1-methyl-4-oxidanylidene-cyclohexane-1,3-dicarboxylate

EBC

EBC
Name:	N,N'-ethane-1,2-diylbis(2-iodoacetamide)
Formula:	C6 H10 I2 N2 O2
SMILES:	O=C(NCCNC(=O)CI)CI
InChi:	InChI=1S/C6H10I2N2O2/c7-3-5(11)9-1-2-10-6(12)4-8/h1-4H2,(H,9,11)(H,10,12)
Definition date:	2012-05-07
Last modified:	2024-09-27
Identifier:	N,N'-ethane-1,2-diylbis(2-iodoacetamide)

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