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LK5

LK5
Name:	(1S,4R,7AR)-4-BUTOXY-1-[(1R)-1-FORMYLPROPYL]-2,4,5,6,7,7A-HEXAHYDRO-1H-ISOINDOLE-3-CARBOXYLIC ACID
Formula:	C17 H27 N O4
SMILES:	O=CC(C2NC(=C1C(OCCCC)CCCC12)C(=O)O)CC
InChi:	InChI=1S/C17H27NO4/c1-3-5-9-22-13-8-6-7-12-14(13)16(17(20)21)18-15(12)11(4-2)10-19/h10-13,15,18H,3-9H2,1-2H3,(H,20,21)/t11-,12+,13+,15+/m0/s1
Definition date:	2007-06-15
Last modified:	2024-09-27
Identifier:	(1S,4R,7aR)-4-butoxy-1-[(1R)-1-formylpropyl]-2,4,5,6,7,7a-hexahydro-1H-isoindole-3-carboxylic acid

3CT

3CT
Name:	3-chloro-L-tyrosine
Formula:	C9 H10 Cl N O3
SMILES:	Clc1cc(ccc1O)CC(C(=O)O)N
InChi:	InChI=1S/C9H10ClNO3/c10-6-3-5(1-2-8(6)12)4-7(11)9(13)14/h1-3,7,12H,4,11H2,(H,13,14)/t7-/m0/s1
Definition date:	2013-12-18
Last modified:	2024-09-27
Release date:	2015-08-19
Identifier:	3-chloro-L-tyrosine

LK7

LK7
Name:	(1R,4S,7AS)-1-(1-FORMYLPROP-1-EN-1-YL)-4-METHOXY-2,4,5,6,7,7A-HEXAHYDRO-1H-ISOINDOLE-3-CARBOXYLIC ACID
Formula:	C14 H19 N O4
SMILES:	O=C/C(=C/C)C1NC(=C2C1CCCC2OC)C(=O)O
InChi:	InChI=1S/C14H19NO4/c1-3-8(7-16)12-9-5-4-6-10(19-2)11(9)13(15-12)14(17)18/h3,7,9-10,12,15H,4-6H2,1-2H3,(H,17,18)/b8-3-/t9-,10-,12-/m0/s1
Definition date:	2007-06-15
Last modified:	2024-09-27
Identifier:	(1R,4S,7aS)-1-[(1E)-1-formylprop-1-en-1-yl]-4-methoxy-2,4,5,6,7,7a-hexahydro-1H-isoindole-3-carboxylic acid

3CY

3CY
Name:	(3S)-3-[({(2S)-5-[(N-ACETYL-L-ALPHA-ASPARTYL)AMINO]-4-OXO-1,2,4,5,6,7-HEXAHYDROAZEPINO[3,2,1-HI]INDOL-2-YL}CARBONYL)AMINO]-5-(BENZYLSULFANYL)-4-OXOPENTANOIC ACID
Formula:	C31 H34 N4 O9 S
SMILES:	O=C(O)CC(C(=O)CSCc1ccccc1)NC(=O)C4N3c2c(cccc2CCC(C3=O)NC(=O)C(NC(=O)C)CC(=O)O)C4
InChi:	InChI=1S/C31H34N4O9S/c1-17(36)32-23(14-27(40)41)29(42)33-21-11-10-19-8-5-9-20-12-24(35(28(19)20)31(21)44)30(43)34-22(13-26(38)39)25(37)16-45-15-18-6-3-2-4-7-18/h2-9,21-24H,10-16H2,1H3,(H,32,36)(H,33,42)(H,34,43)(H,38,39)(H,40,41)/t21-,22-,23-,24-/m0/s1
Definition date:	2003-11-24
Last modified:	2024-09-27
Identifier:	(3S)-3-[({(2S,5S)-5-[(N-acetyl-L-alpha-aspartyl)amino]-4-oxo-1,2,4,5,6,7-hexahydroazepino[3,2,1-hi]indol-2-yl}carbonyl)amino]-5-(benzylsulfanyl)-4-oxopentanoic acid

LKE

LKE
Name:	2-[(4~{Z})-2-(aminomethyl)-4-[(4-azidophenyl)methylidene]-5-oxidanylidene-imidazol-1-yl]ethanoic acid
Formula:	C13 H12 N6 O3
SMILES:	NCC1=NC(=Cc2ccc(cc2)N=[N+]=[N-])C(=O)N1CC(O)=O
InChi:	InChI=1S/C13H12N6O3/c14-6-11-16-10(13(22)19(11)7-12(20)21)5-8-1-3-9(4-2-8)17-18-15/h1-5H,6-7,14H2,(H,20,21)/b10-5-
Definition date:	2019-08-21
Last modified:	2024-09-27
Release date:	2021-02-17
Identifier:	2-[(4~{Z})-2-(aminomethyl)-4-[(4-azidophenyl)methylidene]-5-oxidanylidene-imidazol-1-yl]ethanoic acid

LKK

LKK
Name:	3-[[1-[(4-bromophenyl)methyl]-1,2,3-triazol-4-yl]methylcarbamoyl]pentane-3-sulfonic acid
Formula:	C16 H21 Br N4 O4 S
SMILES:	CCC(CC)(C(=O)NCc1cn(Cc2ccc(Br)cc2)nn1)[S](O)(=O)=O
InChi:	InChI=1S/C16H21BrN4O4S/c1-3-16(4-2,26(23,24)25)15(22)18-9-14-11-21(20-19-14)10-12-5-7-13(17)8-6-12/h5-8,11H,3-4,9-10H2,1-2H3,(H,18,22)(H,23,24,25)
Definition date:	2019-08-21
Last modified:	2024-09-27
Release date:	2020-04-08
Identifier:	3-[[1-[(4-bromophenyl)methyl]-1,2,3-triazol-4-yl]methylcarbamoyl]pentane-3-sulfonic acid

3DR

3DR
Name:	1',2'-DIDEOXYRIBOFURANOSE-5'-PHOSPHATE
Formula:	C5 H11 O6 P
SMILES:	O=P(OCC1OCCC1O)(O)O
InChi:	InChI=1S/C5H11O6P/c6-4-1-2-10-5(4)3-11-12(7,8)9/h4-6H,1-3H2,(H2,7,8,9)/t4-,5+/m0/s1
Synonyms:	ABASIC DIDEOXYRIBOSE
Definition date:	1999-07-08
Last modified:	2024-09-27
Identifier:	1,4-anhydro-2-deoxy-5-O-phosphono-D-erythro-pentitol

3DS

3DS
Name:	(4S,5R)-4,5-dihydroxy-3-oxocyclohex-1-ene-1-carboxylic acid
Formula:	C7 H8 O5
SMILES:	O=C1C=C(C(=O)O)CC(O)C1O
InChi:	InChI=1S/C7H8O5/c8-4-1-3(7(11)12)2-5(9)6(4)10/h1,5-6,9-10H,2H2,(H,11,12)/t5-,6-/m1/s1
Synonyms:	3-dehydroshikimate
Definition date:	2010-05-27
Last modified:	2024-09-27
Identifier:	(4S,5R)-4,5-dihydroxy-3-oxocyclohex-1-ene-1-carboxylic acid

LLE

LLE
Name:	(2~{R})-3,3-dimethyl-2-oxidanyl-~{N}-[3-oxidanylidene-3-[2-[(1~{R},4~{Z},6~{Z},8~{Z})-1,5,7,9-tetrakis(oxidanyl)-3,11-bis(oxidanylidene)dodeca-4,6,8-trienyl]sulfanylethylamino]propyl]-4-[tris(oxidanyl)-$l^{5}-phosphanyl]oxy-butanamide
Formula:	C23 H39 N2 O13 P S
SMILES:	CC(=O)CC(O)=CC(O)=CC(O)=CC(=O)C[CH](O)SCCNC(=O)CCNC(=O)[CH](O)C(C)(C)CO[PH](O)(O)O
InChi:	InChI=1S/C23H39N2O13PS/c1-14(26)8-15(27)9-16(28)10-17(29)11-18(30)12-20(32)40-7-6-24-19(31)4-5-25-22(34)21(33)23(2,3)13-38-39(35,36)37/h9-11,20-21,27-29,32-33,35-37,39H,4-8,12-13H2,1-3H3,(H,24,31)(H,25,34)/b15-9-,16-10-,17-11-/t20-,21+/m1/s1
Definition date:	2019-08-22
Last modified:	2024-09-27
Release date:	2020-05-27
Identifier:	(2~{R})-3,3-dimethyl-2-oxidanyl-~{N}-[3-oxidanylidene-3-[2-[(1~{R},4~{Z},6~{Z},8~{Z})-1,5,7,9-tetrakis(oxidanyl)-3,11-bis(oxidanylidene)dodeca-4,6,8-trienyl]sulfanylethylamino]propyl]-4-[tris(oxidanyl)-$l^{5}-phosphanyl]oxy-butanamide

LLF

LLF
Name:	(4-{(E)-[(2,2-DIFLUOROETHYL)IMINO]METHYL}-5-HYDROXY-6-METHYLPYRIDIN-3-YL)METHYL DIHYDROGEN PHOSPHATE
Formula:	C10 H13 F2 N2 O5 P
SMILES:	FC(F)C/N=C/c1c(cnc(c1O)C)COP(=O)(O)O
InChi:	InChI=1S/C10H13F2N2O5P/c1-6-10(15)8(3-13-4-9(11)12)7(2-14-6)5-19-20(16,17)18/h2-3,9,15H,4-5H2,1H3,(H2,16,17,18)/b13-3+
Synonyms:	(E)-N-(2,2-DIFLUOROETHYL)PYRIDOXIMINE-5'-PHOSPHATE
Definition date:	2006-04-05
Last modified:	2024-09-27
Identifier:	(4-{(E)-[(2,2-difluoroethyl)imino]methyl}-5-hydroxy-6-methylpyridin-3-yl)methyl dihydrogen phosphate

3E5

3E5
Name:	N-[(benzyloxy)carbonyl]-L-leucyl-N-{(2S,3S)-1-[(2,4-dimethylphenyl)amino]-2-hydroxy-5-methyl-1-oxohexan-3-yl}-L-leucinamide
Formula:	C35 H52 N4 O6
SMILES:	O=C(Nc1ccc(cc1C)C)C(O)C(NC(=O)C(NC(=O)C(NC(=O)OCc2ccccc2)CC(C)C)CC(C)C)CC(C)C
InChi:	InChI=1S/C35H52N4O6/c1-21(2)16-28(31(40)34(43)36-27-15-14-24(7)19-25(27)8)37-32(41)29(17-22(3)4)38-33(42)30(18-23(5)6)39-35(44)45-20-26-12-10-9-11-13-26/h9-15,19,21-23,28-31,40H,16-18,20H2,1-8H3,(H,36,43)(H,37,41)(H,38,42)(H,39,44)/t28-,29-,30-,31-/m0/s1
Definition date:	2014-08-05
Last modified:	2024-09-27
Release date:	2014-08-13
Identifier:	N-[(benzyloxy)carbonyl]-L-leucyl-N-{(2S,3S)-1-[(2,4-dimethylphenyl)amino]-2-hydroxy-5-methyl-1-oxohexan-3-yl}-L-leucinamide

LLK

LLK
Name:	(2E)-1-(6-methoxynaphthalen-2-yl)but-2-en-1-one
Formula:	C15 H14 O2
SMILES:	O=C(c1ccc2c(c1)ccc(OC)c2)/C=C/C
InChi:	InChI=1S/C15H14O2/c1-3-4-15(16)13-6-5-12-10-14(17-2)8-7-11(12)9-13/h3-10H,1-2H3/b4-3+
Definition date:	2013-11-04
Last modified:	2024-09-27
Release date:	2014-11-12
Identifier:	(2E)-1-(6-methoxynaphthalen-2-yl)but-2-en-1-one

LLO

LLO
Name:	N~6~-[(1S)-3-hydroxy-1,3-dimethylbutyl]-L-lysine
Formula:	C12 H26 N2 O3
SMILES:	O=C(O)C(N)CCCCNC(CC(O)(C)C)C
InChi:	InChI=1S/C12H26N2O3/c1-9(8-12(2,3)17)14-7-5-4-6-10(13)11(15)16/h9-10,14,17H,4-8,13H2,1-3H3,(H,15,16)/t9-,10-/m0/s1
Synonyms:	4-Hydroxy-4-Methyl-2-Pentanone
Definition date:	2010-07-20
Last modified:	2024-09-27
Identifier:	N~6~-[(2S)-4-hydroxy-4-methylpentan-2-yl]-L-lysine

LLP

LLP
Name:	(2S)-2-amino-6-[[3-hydroxy-2-methyl-5-(phosphonooxymethyl)pyridin-4-yl]methylideneamino]hexanoic acid
Formula:	C14 H22 N3 O7 P
SMILES:	n1c(C)c(O)c(C=NCCCCC(N)C(=O)O)c(c1)COP(=O)(O)O
InChi:	InChI=1S/C14H22N3O7P/c1-9-13(18)11(10(6-17-9)8-24-25(21,22)23)7-16-5-3-2-4-12(15)14(19)20/h6-7,12,18H,2-5,8,15H2,1H3,(H,19,20)(H2,21,22,23)/b16-7+/t12-/m0/s1
Synonyms:	N'-PYRIDOXYL-LYSINE-5'-MONOPHOSPHATE
Definition date:	1999-07-08
Last modified:	2024-09-27
Identifier:	(E)-N~6~-({3-hydroxy-2-methyl-5-[(phosphonooxy)methyl]pyridin-4-yl}methylidene)-L-lysine

3EG

3EG
Name:	(2S)-2-amino-4,4,4-trifluorobutanoic acid
Formula:	C4 H6 F3 N O2
SMILES:	FC(F)(F)CC(N)C(=O)O
InChi:	InChI=1S/C4H6F3NO2/c5-4(6,7)1-2(8)3(9)10/h2H,1,8H2,(H,9,10)/t2-/m0/s1
Definition date:	2011-10-13
Last modified:	2024-09-27
Identifier:	(2S)-2-amino-4,4,4-trifluorobutanoic acid

LLY

LLY
Name:	NZ-(DICARBOXYMETHYL)LYSINE
Formula:	C9 H16 N2 O6
SMILES:	O=C(O)C(C(=O)O)NCCCCC(N)C(=O)O
InChi:	InChI=1S/C9H16N2O6/c10-5(7(12)13)3-1-2-4-11-6(8(14)15)9(16)17/h5-6,11H,1-4,10H2,(H,12,13)(H,14,15)(H,16,17)/t5-/m0/s1
Definition date:	1999-07-08
Last modified:	2024-09-27
Identifier:	{[(5S)-5-amino-5-carboxypentyl]amino}propanedioic acid

LM0

LM0
Name:	(3S)-N',2-diacetyl-1,2,3,4-tetrahydroisoquinoline-3-carbohydrazide
Formula:	C14 H17 N3 O3
SMILES:	CC(=O)NNC(=O)C1Cc2ccccc2CN1C(C)=O
InChi:	InChI=1S/C14H17N3O3/c1-9(18)15-16-14(20)13-7-11-5-3-4-6-12(11)8-17(13)10(2)19/h3-6,13H,7-8H2,1-2H3,(H,15,18)(H,16,20)/t13-/m0/s1
Definition date:	2023-08-15
Last modified:	2024-09-27
Release date:	2023-11-08
Identifier:	(3S)-N',2-diacetyl-1,2,3,4-tetrahydroisoquinoline-3-carbohydrazide

LMB

LMB
Name:	Leptomycin B, bound form
Formula:	C33 H52 O7
SMILES:	O=C(O)CCC(C)C(O)/C=C/C(=CC(C)C/C=C/C(=C/C(C(=O)C(C)C(O)C(C)CC(=CC(=O)O)C)C)C)CC
InChi:	InChI=1S/C33H52O7/c1-9-28(14-15-29(34)24(5)13-16-30(35)36)19-22(3)12-10-11-21(2)17-25(6)32(39)27(8)33(40)26(7)18-23(4)20-31(37)38/h10-11,14-15,17,19-20,22,24-27,29,33-34,40H,9,12-13,16,18H2,1-8H3,(H,35,36)(H,37,38)/b11-10+,15-14+,21-17+,23-20+,28-19-/t22-,24+,25-,26+,27-,29+,33-/m1/s1
Definition date:	2012-10-11
Last modified:	2024-09-27
Release date:	2013-01-04
Identifier:	(2E,5S,6R,7S,9R,10E,12E,15R,16Z,18E,20R,21S)-17-ethyl-6,20-dihydroxy-3,5,7,9,11,15,21-heptamethyl-8-oxotetracosa-2,10,12,16,18-pentaenedioic acid

LMC

LMC
Name:	(2E,4E,6E)-3-methyl-6-(1,3,3-trimethyl-1,3-dihydro-2H-indol-2-ylidene)hexa-2,4-dienal
Formula:	C18 H21 N O
SMILES:	O=CC=C(C=CC=C2N(c1ccccc1C2(C)C)C)C
InChi:	InChI=1S/C18H21NO/c1-14(12-13-20)8-7-11-17-18(2,3)15-9-5-6-10-16(15)19(17)4/h5-13H,1-4H3/b8-7+,14-12+,17-11+
Synonyms:	(2E,4E,6Z)-3-methyl-6-(1,3,3-trimethylindolin-2-ylidene)hexa-2,4-dienal
Definition date:	2008-12-09
Last modified:	2024-09-27
Identifier:	(2E,4E,6E)-3-methyl-6-(1,3,3-trimethyl-1,3-dihydro-2H-indol-2-ylidene)hexa-2,4-dienal

LME

LME
Name:	(2S,3R)-2-azanyl-3-methyl-pentanedioic acid
Formula:	C6 H11 N O4
SMILES:	O=C(O)C(N)C(CC(=O)O)C
InChi:	InChI=1S/C6H11NO4/c1-3(2-4(8)9)5(7)6(10)11/h3,5H,2,7H2,1H3,(H,8,9)(H,10,11)/t3-,5+/m1/s1
Synonyms:	(3R)-3-methyl-L-glutamic acid
Definition date:	2004-11-05
Last modified:	2024-09-27
Identifier:	(3R)-3-methyl-L-glutamic acid

LML

LML
Name:	ISOBUTYL MALONIC ACID
Formula:	C7 H12 O4
SMILES:	O=C(O)C(C(=O)O)CC(C)C
InChi:	InChI=1S/C7H12O4/c1-4(2)3-5(6(8)9)7(10)11/h4-5H,3H2,1-2H3,(H,8,9)(H,10,11)
Definition date:	1999-07-08
Last modified:	2024-09-27
Identifier:	(2-methylpropyl)propanedioic acid

3F7

3F7
Name:	1,1'-benzene-1,4-diylbis(1H-pyrrole-2,5-dione)
Formula:	C14 H8 N2 O4
SMILES:	O=C3C=CC(=O)N3c1ccc(cc1)N2C(=O)C=CC2=O
InChi:	InChI=1S/C14H8N2O4/c17-11-5-6-12(18)15(11)9-1-2-10(4-3-9)16-13(19)7-8-14(16)20/h1-8H
Definition date:	2014-08-06
Last modified:	2024-09-27
Release date:	2014-12-10
Identifier:	1,1'-benzene-1,4-diylbis(1H-pyrrole-2,5-dione)

3F8

3F8
Name:	1,1'-[ethane-1,2-diylbis(oxyethane-2,1-diyl)]bis(1H-pyrrole-2,5-dione)
Formula:	C14 H16 N2 O6
SMILES:	O=C1C=CC(=O)N1CCOCCOCCN2C(=O)C=CC2=O
InChi:	InChI=1S/C14H16N2O6/c17-11-1-2-12(18)15(11)5-7-21-9-10-22-8-6-16-13(19)3-4-14(16)20/h1-4H,5-10H2
Definition date:	2014-08-07
Last modified:	2024-09-27
Release date:	2014-12-10
Identifier:	1,1'-[ethane-1,2-diylbis(oxyethane-2,1-diyl)]bis(1H-pyrrole-2,5-dione)

LMP

LMP
Name:	(2~{S},3~{R},4~{S})-2-[(2~{S},3~{R})-1,3-bis(oxidanyl)-1-oxidanylidene-butan-2-yl]-4-[(3~{S},5~{S})-5-(dimethylcarbamoy l)pyrrolidin-3-yl]sulfanyl-3-methyl-3,4-dihydro-2~{H}-pyrrole-5-carboxylic acid
Formula:	C17 H27 N3 O6 S
SMILES:	C[CH](O)[CH]([CH]1N=C([CH](S[CH]2CN[CH](C2)C(=O)N(C)C)[CH]1C)C(O)=O)C(O)=O
InChi:	InChI=1S/C17H27N3O6S/c1-7-12(11(8(2)21)16(23)24)19-13(17(25)26)14(7)27-9-5-10(18-6-9)15(22)20(3)4/h7-12,14,18,21H,5-6H2,1-4H3,(H,23,24)(H,25,26)/t7-,8-,9+,10+,11-,12-,14+/m1/s1
Synonyms:	Hydrolyzed Meropenem
Definition date:	2016-03-18
Last modified:	2024-09-27
Release date:	2016-05-11
Identifier:	(2~{S},3~{R},4~{S})-2-[(2~{S},3~{R})-1,3-bis(oxidanyl)-1-oxidanylidene-butan-2-yl]-4-[(3~{S},5~{S})-5-(dimethylcarbamoyl)pyrrolidin-3-yl]sulfanyl-3-methyl-3,4-dihydro-2~{H}-pyrrole-5-carboxylic acid

3FB

3FB
Name:	(3S)-3-AMINO-4-PHENYLBUTANOIC ACID
Formula:	C10 H13 N O2
SMILES:	O=C(O)CC(N)Cc1ccccc1
InChi:	InChI=1S/C10H13NO2/c11-9(7-10(12)13)6-8-4-2-1-3-5-8/h1-5,9H,6-7,11H2,(H,12,13)/t9-/m0/s1
Definition date:	2002-08-05
Last modified:	2024-09-27
Identifier:	(3S)-3-amino-4-phenylbutanoic acid

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