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56G

56G
Name:	N-[3-({4-(4-methylpiperazin-1-yl)-6-[(5-methyl-1H-pyrazol-3-yl)amino]pyrimidin-2-yl}oxy)phenyl]prop-2-enamide
Formula:	C22 H26 N8 O2
SMILES:	c1(nc(nc(c1)Nc2cc(nn2)C)Oc3cccc(c3)NC(=O)[C@H]=C)N4CCN(C)CC4
InChi:	InChI=1S/C22H26N8O2/c1-4-21(31)23-16-6-5-7-17(13-16)32-22-25-18(24-19-12-15(2)27-28-19)14-20(26-22)30-10-8-29(3)9-11-30/h4-7,12-14H,1,8-11H2,2-3H3,(H,23,31)(H2,24,25,26,27,28)
Definition date:	2015-08-04
Last modified:	2024-09-27
Release date:	2015-09-09
Identifier:	N-[3-({4-(4-methylpiperazin-1-yl)-6-[(5-methyl-1H-pyrazol-3-yl)amino]pyrimidin-2-yl}oxy)phenyl]prop-2-enamide

56I

56I
Name:	[(1R,2R,3R,4R,5S)-2-(hydroxymethyl)-3,4,5-tris(oxidanyl)cyclohexyl]sulfamic acid
Formula:	C7 H15 N O7 S
SMILES:	OC[CH]1[CH](O)[CH](O)[CH](O)C[CH]1N[S](O)(=O)=O
InChi:	InChI=1S/C7H15NO7S/c9-2-3-4(8-16(13,14)15)1-5(10)7(12)6(3)11/h3-12H,1-2H2,(H,13,14,15)/t3-,4+,5-,6+,7+/m0/s1
Definition date:	2021-07-07
Last modified:	2024-09-27
Release date:	2022-07-13
Identifier:	[(1~{R},2~{R},3~{R},4~{R},5~{S})-2-(hydroxymethyl)-3,4,5-tris(oxidanyl)cyclohexyl]sulfamic acid

56J

56J
Name:	3-(9H-fluoren-9-yl)propanal
Formula:	C16 H14 O2
SMILES:	c1cc2c(cc1)c3c(C2CCC=O)cccc3
InChi:	InChI=1S/C16H14O2/c17-16(18)10-9-15-13-7-3-1-5-11(13)12-6-2-4-8-14(12)15/h1-8,15H,9-10H2,(H,17,18)
Definition date:	2015-08-04
Last modified:	2024-09-27
Release date:	2016-08-17
Identifier:	3-(9H-fluoren-9-yl)propanal

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

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

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

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

58A

58A
Name:	5'-O-[(R)-{[(S)-{(2R)-2,3-bis[(9E)-octadec-9-enoyloxy]propoxy}(hydroxy)phosphoryl]oxy}(hydroxy)phosphoryl]cytidine
Formula:	C48 H85 N3 O15 P2
SMILES:	O=C1N(C=CC(=N1)N)C2OC(C(C2O)O)COP(=O)(O)OP(O)(OCC(COC(CCCCCCCC=CCCCCCCCC)=O)OC(CCCCCCCC=[C@H]CCCCCCCC)=O)=O
InChi:	InChI=1S/C48H85N3O15P2/c1-3-5-7-9-11-13-15-17-19-21-23-25-27-29-31-33-43(52)61-37-40(64-44(53)34-32-30-28-26-24-22-20-18-16-14-12-10-8-6-4-2)38-62-67(57,58)66-68(59,60)63-39-41-45(54)46(55)47(65-41)51-36-35-42(49)50-48(51)56/h17-20,35-36,40-41,45-47,54-55H,3-16,21-34,37-39H2,1-2H3,(H,57,58)(H,59,60)(H2,49,50,56)/b19-17+,20-18+/t40-,41-,45-,46-,47-/m1/s1
Synonyms:	cytidinediphosphate-dioleoylglycerol
Definition date:	2015-08-19
Last modified:	2024-09-27
Release date:	2015-11-04
Identifier:	5'-O-[(R)-{[(S)-{(2R)-2,3-bis[(9E)-octadec-9-enoyloxy]propoxy}(hydroxy)phosphoryl]oxy}(hydroxy)phosphoryl]cytidine

58E

58E
Name:	(5aS,6S,9aS)-7-hydroxy-2,6,9a-trimethyl-3-(pyridin-3-yl)-4,5,5a,6,9,9a-hexahydro-2H-benzo[g]indazole-8-carbonitrile
Formula:	C20 H22 N4 O
SMILES:	OC=4C(C)C3CCc1c(nn(c1c2cccnc2)C)C3(C)CC=4C#N
InChi:	InChI=1S/C20H22N4O/c1-12-16-7-6-15-17(13-5-4-8-22-11-13)24(3)23-19(15)20(16,2)9-14(10-21)18(12)25/h4-5,8,11-12,16,25H,6-7,9H2,1-3H3/t12-,16-,20-/m0/s1
Definition date:	2015-08-20
Last modified:	2024-09-27
Release date:	2016-08-10
Identifier:	(5aS,6S,9aS)-7-hydroxy-2,6,9a-trimethyl-3-(pyridin-3-yl)-4,5,5a,6,9,9a-hexahydro-2H-benzo[g]indazole-8-carbonitrile

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

58U

58U
Name:	(4S)-4-methyl-2,5,7-trioxoheptanoic acid
Formula:	C8 H10 O5
SMILES:	OC(C(CC(C(=O)CC=O)C)=O)=O
InChi:	InChI=1S/C8H10O5/c1-5(6(10)2-3-9)4-7(11)8(12)13/h3,5H,2,4H2,1H3,(H,12,13)/t5-/m0/s1
Definition date:	2015-08-25
Last modified:	2024-09-27
Release date:	2016-09-28
Identifier:	(4S)-4-methyl-2,5,7-trioxoheptanoic 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

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

LMQ

LMQ
Name:	(3S)-3-methyl-L-glutamine
Formula:	C6 H12 N2 O3
SMILES:	O=C(N)CC(C)C(N)C(=O)O
InChi:	InChI=1S/C6H12N2O3/c1-3(2-4(7)9)5(8)6(10)11/h3,5H,2,8H2,1H3,(H2,7,9)(H,10,11)/t3-,5-/m0/s1
Synonyms:	beta-methylglutamine
Definition date:	2008-06-02
Last modified:	2024-09-27
Identifier:	(3S)-3-methyl-L-glutamine

LMR

LMR
Name:	(2S)-2-hydroxybutanedioic acid
Formula:	C4 H6 O5
SMILES:	O=C(O)CC(O)C(=O)O
InChi:	InChI=1S/C4H6O5/c5-2(4(8)9)1-3(6)7/h2,5H,1H2,(H,6,7)(H,8,9)/t2-/m0/s1
Synonyms:	L-Malate
Definition date:	2008-03-24
Last modified:	2024-09-27
Identifier:	(2S)-2-hydroxybutanedioic acid

LN1

LN1
Name:	(3R)-4-{[(3,4-dihydroxyphenyl)acetyl]oxy}-N-(2-formylindolizin-3-yl)-3-sulfino-D-valine
Formula:	C22 H22 N2 O9 S
SMILES:	O=C(OCC(S(=O)O)(C)C(C(=O)O)Nc2c(cc1ccccn12)C=O)Cc3ccc(O)c(O)c3
InChi:	InChI=1S/C22H22N2O9S/c1-22(34(31)32,12-33-18(28)9-13-5-6-16(26)17(27)8-13)19(21(29)30)23-20-14(11-25)10-15-4-2-3-7-24(15)20/h2-8,10-11,19,23,26-27H,9,12H2,1H3,(H,29,30)(H,31,32)/t19-,22-/m0/s1
Definition date:	2008-05-15
Last modified:	2024-09-27
Identifier:	(3R)-4-{[(3,4-dihydroxyphenyl)acetyl]oxy}-N-(2-formylindolizin-3-yl)-3-sulfino-D-valine

59A

59A
Name:	N-{[(2S,3S)-3-(ETHOXYCARBONYL)OXIRAN-2-YL]CARBONYL}-L-ISOLEUCINE
Formula:	C12 H19 N O6
SMILES:	O=C(NC(C(=O)O)C(C)CC)C1OC1C(=O)OCC
InChi:	InChI=1S/C12H19NO6/c1-4-6(3)7(11(15)16)13-10(14)8-9(19-8)12(17)18-5-2/h6-9H,4-5H2,1-3H3,(H,13,14)(H,15,16)/t6-,7-,8-,9-/m0/s1
Synonyms:	CA059
Definition date:	2006-01-04
Last modified:	2024-09-27
Identifier:	N-{[(2S,3S)-3-(ethoxycarbonyl)oxiran-2-yl]carbonyl}-L-isoleucine

LN5

LN5
Name:	N5-(1-iminopropyl)-L-ornithine
Formula:	C8 H17 N3 O2
SMILES:	O=C(O)C(N)CCCNC(=[N@H])CC
InChi:	InChI=1S/C8H17N3O2/c1-2-7(10)11-5-3-4-6(9)8(12)13/h6H,2-5,9H2,1H3,(H2,10,11)(H,12,13)/t6-/m0/s1
Synonyms:	(2S)-2-azanyl-5-(propanimidoylamino)pentanoic acid
Definition date:	2009-07-07
Last modified:	2024-09-27
Identifier:	N~5~-[(1Z)-propanimidoyl]-L-ornithine

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