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LPA

LPA
Name:	LIPOIC ACID
Formula:	C8 H14 O2 S2
SMILES:	O=C(O)CCCCC1SSCC1
InChi:	InChI=1S/C8H14O2S2/c9-8(10)4-2-1-3-7-5-6-11-12-7/h7H,1-6H2,(H,9,10)/t7-/m1/s1
Synonyms:	5-[(3R)-1,2-dithiolan-3-yl]pentanoic acid
Definition date:	1999-07-08
Last modified:	2024-09-27
Identifier:	5-[(3R)-1,2-dithiolan-3-yl]pentanoic acid

OZI

OZI
Name:	(2~{S})-4-(2-chloranylethanoyl)-1-(3,4-dichlorophenyl)-~{N}-(thiophen-2-ylmethyl)piperazine-2-carboxamide
Formula:	C18 H18 Cl3 N3 O2 S
SMILES:	ClCC(=O)N1CCN([CH](C1)C(=O)NCc2sccc2)c3ccc(Cl)c(Cl)c3
InChi:	InChI=1S/C18H18Cl3N3O2S/c19-9-17(25)23-5-6-24(12-3-4-14(20)15(21)8-12)16(11-23)18(26)22-10-13-2-1-7-27-13/h1-4,7-8,16H,5-6,9-11H2,(H,22,26)/t16-/m0/s1
Definition date:	2022-09-28
Last modified:	2024-09-27
Release date:	2023-08-09
Identifier:	(2~{S})-4-(2-chloranylethanoyl)-1-(3,4-dichlorophenyl)-~{N}-(thiophen-2-ylmethyl)piperazine-2-carboxamide

LPB

LPB
Name:	5-[(3S)-1,2-dithiolan-3-yl]pentanoic acid
Formula:	C8 H14 O2 S2
SMILES:	O=C(O)CCCCC1SSCC1
InChi:	InChI=1S/C8H14O2S2/c9-8(10)4-2-1-3-7-5-6-11-12-7/h7H,1-6H2,(H,9,10)/t7-/m0/s1
Definition date:	2011-09-08
Last modified:	2024-09-27
Identifier:	5-[(3S)-1,2-dithiolan-3-yl]pentanoic acid

V0G

V0G
Name:	N-(3-{[5-chloro-4-(1H-indol-3-yl)pyrimidin-2-yl]amino}phenyl)-4-{[4-(dimethylamino)butanoyl]amino}benzamide
Formula:	C31 H30 Cl N7 O2
SMILES:	c1c(ccc(c1)NC(=O)CCCN(C)C)C(=O)Nc2cccc(c2)Nc3nc(c(Cl)cn3)c4c5c(nc4)cccc5
InChi:	InChI=1S/C31H30ClN7O2/c1-39(2)16-6-11-28(40)35-21-14-12-20(13-15-21)30(41)36-22-7-5-8-23(17-22)37-31-34-19-26(32)29(38-31)25-18-33-27-10-4-3-9-24(25)27/h3-5,7-10,12-15,17-19,33H,6,11,16H2,1-2H3,(H,35,40)(H,36,41)(H,34,37,38)
Definition date:	2020-06-10
Last modified:	2024-09-27
Release date:	2020-09-09
Identifier:	N-(3-{[5-chloro-4-(1H-indol-3-yl)pyrimidin-2-yl]amino}phenyl)-4-{[4-(dimethylamino)butanoyl]amino}benzamide

NCY

NCY
Name:	N-METHYLCYSTEINE
Formula:	C4 H9 N O2 S
SMILES:	O=C(O)C(NC)CS
InChi:	InChI=1S/C4H9NO2S/c1-5-3(2-8)4(6)7/h3,5,8H,2H2,1H3,(H,6,7)/t3-/m0/s1
Definition date:	1999-07-08
Last modified:	2024-09-27
Identifier:	N-methyl-L-cysteine

QNC

QNC
Name:	quinoline-2-carboxylic acid
Formula:	C10 H7 N O2
SMILES:	O=C(O)c1nc2ccccc2cc1
InChi:	InChI=1S/C10H7NO2/c12-10(13)9-6-5-7-3-1-2-4-8(7)11-9/h1-6H,(H,12,13)
Definition date:	1999-07-08
Last modified:	2024-09-27
Identifier:	quinoline-2-carboxylic acid

LAY

LAY
Name:	N-acetyl-L-leucine
Formula:	C8 H15 N O3
SMILES:	O=C(NC(C(=O)O)CC(C)C)C
InChi:	InChI=1S/C8H15NO3/c1-5(2)4-7(8(11)12)9-6(3)10/h5,7H,4H2,1-3H3,(H,9,10)(H,11,12)/t7-/m0/s1
Definition date:	2015-01-22
Last modified:	2024-09-27
Release date:	2016-01-27
Identifier:	N-acetyl-L-leucine

Q84

Q84
Name:	1,2-dideoxy-1-({2,6-dioxo-5-[(E)-(2-oxopropylidene)amino]-1,2,3,6-tetrahydropyrimidin-4-yl}amino)-D-erythro-pentitol
Formula:	C12 H18 N4 O6
SMILES:	CC(=O)/C=N/C=1C(=O)NC(NC=1NCCC(C(O)CO)O)=O
InChi:	InChI=1S/C12H18N4O6/c1-6(18)4-14-9-10(15-12(22)16-11(9)21)13-3-2-7(19)8(20)5-17/h4,7-8,17,19-20H,2-3,5H2,1H3,(H3,13,15,16,21,22)/b14-4+/t7-,8+/m0/s1
Definition date:	2019-10-02
Last modified:	2024-09-27
Release date:	2020-02-19
Identifier:	1,2-dideoxy-1-({2,6-dioxo-5-[(E)-(2-oxopropylidene)amino]-1,2,3,6-tetrahydropyrimidin-4-yl}amino)-D-erythro-pentitol

OZJ

OZJ
Name:	2,4-diamino-6-(3-formylphenyl)-7H-pyrrolo[2,3-d]pyrimidine-5-carbonitrile
Formula:	C14 H10 N6 O
SMILES:	O=Cc3cccc(c2c(C#N)c1c(nc(nc1n2)N)N)c3
InChi:	InChI=1S/C14H10N6O/c15-5-9-10-12(16)19-14(17)20-13(10)18-11(9)8-3-1-2-7(4-8)6-21/h1-4,6H,(H5,16,17,18,19,20)
Definition date:	2014-01-13
Last modified:	2024-09-27
Release date:	2015-01-21
Identifier:	2,4-diamino-6-(3-formylphenyl)-7H-pyrrolo[2,3-d]pyrimidine-5-carbonitrile

RER

RER
Name:	vancosamine
Formula:	C7 H15 N O3
SMILES:	OC1OC(C(O)C(N)(C)C1)C
InChi:	InChI=1S/C7H15NO3/c1-4-6(10)7(2,8)3-5(9)11-4/h4-6,9-10H,3,8H2,1-2H3/t4-,5+,6+,7-/m0/s1
Synonyms:	(1R,3S,4S,5S)-3-amino-2,3,6-trideoxy-3-methyl-alpha-L-arabino-hexopyranose
Definition date:	2010-09-06
Last modified:	2024-09-27
Identifier:	3-amino-2,3,6-trideoxy-3-methyl-alpha-L-lyxo-hexopyranose

TVA

TVA
Name:	N-[(2R,3S)-3-amino-2-hydroxy-4-(thiophen-2-yl)butyl]-L-norvaline
Formula:	C13 H22 N2 O3 S
SMILES:	O=C(O)C(NCC(O)C(N)Cc1sccc1)CCC
InChi:	InChI=1S/C13H22N2O3S/c1-2-4-11(13(17)18)15-8-12(16)10(14)7-9-5-3-6-19-9/h3,5-6,10-12,15-16H,2,4,7-8,14H2,1H3,(H,17,18)/t10-,11-,12+/m0/s1
Definition date:	2014-06-24
Last modified:	2024-09-27
Release date:	2015-07-01
Identifier:	N-[(2R,3S)-3-amino-2-hydroxy-4-(thiophen-2-yl)butyl]-L-norvaline

LPD

LPD
Name:	L-PROLINAMIDE
Formula:	C5 H10 N2 O
SMILES:	O=C(N)C1NCCC1
InChi:	InChI=1S/C5H10N2O/c6-5(8)4-2-1-3-7-4/h4,7H,1-3H2,(H2,6,8)/t4-/m0/s1
Definition date:	2006-08-24
Last modified:	2024-09-27
Identifier:	L-prolinamide

TVB

TVB
Name:	4-[[(2~{R})-2-methyl-3,4-dihydro-2~{H}-quinolin-1-yl]sulfonyl]benzaldehyde
Formula:	C17 H17 N O3 S
SMILES:	C[CH]1CCc2ccccc2N1[S](=O)(=O)c3ccc(C=O)cc3
InChi:	InChI=1S/C17H17NO3S/c1-13-6-9-15-4-2-3-5-17(15)18(13)22(20,21)16-10-7-14(12-19)8-11-16/h2-5,7-8,10-13H,6,9H2,1H3/t13-/m1/s1
Definition date:	2021-01-13
Last modified:	2024-09-27
Release date:	2021-06-16
Identifier:	4-[[(2~{R})-2-methyl-3,4-dihydro-2~{H}-quinolin-1-yl]sulfonyl]benzaldehyde

TH5

TH5
Name:	O-acetyl-L-threonine
Formula:	C6 H11 N O4
SMILES:	O=C(OC(C(N)C(=O)O)C)C
InChi:	InChI=1S/C6H11NO4/c1-3(11-4(2)8)5(7)6(9)10/h3,5H,7H2,1-2H3,(H,9,10)/t3-,5+/m1/s1
Definition date:	2008-08-01
Last modified:	2024-09-27
Identifier:	O-acetyl-L-threonine

5MW

5MW
Name:	(2~{S})-5-[4-(aminomethyl)-1,2,3-triazol-1-yl]-2-azanyl-pentanoic acid
Formula:	C8 H15 N5 O2
SMILES:	NCc1cn(CCC[CH](N)C(O)=O)nn1
InChi:	InChI=1S/C8H15N5O2/c9-4-6-5-13(12-11-6)3-1-2-7(10)8(14)15/h5,7H,1-4,9-10H2,(H,14,15)/t7-/m0/s1
Definition date:	2015-10-23
Last modified:	2024-09-27
Release date:	2016-05-18
Identifier:	(2~{S})-5-[4-(aminomethyl)-1,2,3-triazol-1-yl]-2-azanyl-pentanoic acid

ND1

ND1
Name:	(2Z)-N,N-dimethyl-4-{[2-({5-[(1Z)-4,4,4-trifluoro-1-(3-fluoro-2H-indazol-5-yl)-2-phenylbut-1-en-1-yl]pyridin-2-yl}oxy)ethyl]amino}but-2-enamide
Formula:	C30 H29 F4 N5 O2
SMILES:	c1cc(cnc1OCCNC[C@H]=[C@H]C(N(C)C)=O)C(=C(/c2ccccc2)CC(F)(F)F)c4cc3c(F)nnc3cc4
InChi:	InChI=1S/C30H29F4N5O2/c1-39(2)27(40)9-6-14-35-15-16-41-26-13-11-22(19-36-26)28(21-10-12-25-23(17-21)29(31)38-37-25)24(18-30(32,33)34)20-7-4-3-5-8-20/h3-13,17,19,35H,14-16,18H2,1-2H3,(H,37,38)/b9-6?,28-24-
Definition date:	2019-05-10
Last modified:	2024-09-27
Release date:	2019-06-19
Identifier:	(2Z)-N,N-dimethyl-4-{[2-({5-[(1Z)-4,4,4-trifluoro-1-(3-fluoro-2H-indazol-5-yl)-2-phenylbut-1-en-1-yl]pyridin-2-yl}oxy)ethyl]amino}but-2-enamide

RET

RET
Name:	RETINAL
Formula:	C20 H28 O
SMILES:	O=CC=C(C=CC=C(C=CC1=C(C)CCCC1(C)C)C)C
InChi:	InChI=1S/C20H28O/c1-16(8-6-9-17(2)13-15-21)11-12-19-18(3)10-7-14-20(19,4)5/h6,8-9,11-13,15H,7,10,14H2,1-5H3/b9-6+,12-11+,16-8+,17-13+
Definition date:	1999-07-08
Last modified:	2024-09-27
Identifier:	retinal

Q87

Q87
Name:	1-deoxy-1-({2,6-dioxo-5-[(E)-(2-oxopropylidene)amino]-1,2,3,6-tetrahydropyrimidin-4-yl}amino)-D-ribitol
Formula:	C12 H18 N4 O7
SMILES:	C=1(NCC(C(C(CO)O)O)O)NC(NC(=O)C=1N=[C@H]C(C)=O)=O
InChi:	InChI=1S/C12H18N4O7/c1-5(18)2-13-8-10(15-12(23)16-11(8)22)14-3-6(19)9(21)7(20)4-17/h2,6-7,9,17,19-21H,3-4H2,1H3,(H3,14,15,16,22,23)/b13-2+/t6-,7+,9-/m0/s1
Definition date:	2019-10-02
Last modified:	2024-09-27
Release date:	2020-02-19
Identifier:	1-deoxy-1-({2,6-dioxo-5-[(E)-(2-oxopropylidene)amino]-1,2,3,6-tetrahydropyrimidin-4-yl}amino)-D-ribitol

LPF

LPF
Name:	1,1,1-TRIFLUORO-3-((N-ACETYL)-L-LEUCYLAMIDO)-4-PHENYL-BUTAN-2-ONE(N-ACETYL-L-LEUCYL-L-PHENYLALANYL TRIFLUOROMETHYL KETONE)
Formula:	C18 H23 F3 N2 O3
SMILES:	FC(F)(F)C(=O)C(NC(=O)C(NC(=O)C)CC(C)C)Cc1ccccc1
InChi:	InChI=1S/C18H23F3N2O3/c1-11(2)9-15(22-12(3)24)17(26)23-14(16(25)18(19,20)21)10-13-7-5-4-6-8-13/h4-8,11,14-15H,9-10H2,1-3H3,(H,22,24)(H,23,26)/t14-,15-/m0/s1
Definition date:	1999-07-08
Last modified:	2024-09-27
Identifier:	N~2~-acetyl-N-[(1S)-1-benzyl-3,3,3-trifluoro-2-oxopropyl]-L-leucinamide

TH6

TH6
Name:	4-HYDROXY-L-THREONINE
Formula:	C4 H9 N O4
SMILES:	O=C(O)C(N)C(O)CO
InChi:	InChI=1S/C4H9NO4/c5-3(4(8)9)2(7)1-6/h2-3,6-7H,1,5H2,(H,8,9)/t2-,3+/m1/s1
Definition date:	2009-10-22
Last modified:	2024-09-27
Identifier:	4-hydroxy-L-threonine

PFF

PFF
Name:	4-FLUORO-L-PHENYLALANINE
Formula:	C9 H10 F N O2
SMILES:	Fc1ccc(cc1)CC(C(=O)O)N
InChi:	InChI=1S/C9H10FNO2/c10-7-3-1-6(2-4-7)5-8(11)9(12)13/h1-4,8H,5,11H2,(H,12,13)/t8-/m0/s1
Definition date:	2003-07-30
Last modified:	2024-09-27
Identifier:	4-fluoro-L-phenylalanine

OZO

OZO
Name:	3-[(4R)-4-ethyl-5,7,7-trihydroxy-2,2,7-trioxo-6-oxa-2lambda~6~-thia-3-aza-7lambda~5~-phospha-5-boraheptan-1-yl]benzoic acid
Formula:	C11 H17 B N O9 P S
SMILES:	O=S(=O)(Cc1cccc(c1)C(=O)O)NC(CC)B(O)OP(=O)(O)O
InChi:	InChI=1S/C11H17BNO9PS/c1-2-10(12(16)22-23(17,18)19)13-24(20,21)7-8-4-3-5-9(6-8)11(14)15/h3-6,10,13,16H,2,7H2,1H3,(H,14,15)(H2,17,18,19)/t10-/m0/s1
Definition date:	2022-05-19
Last modified:	2024-09-27
Release date:	2023-04-05
Identifier:	3-[(4R)-4-ethyl-5,7,7-trihydroxy-2,2,7-trioxo-6-oxa-2lambda~6~-thia-3-aza-7lambda~5~-phospha-5-boraheptan-1-yl]benzoic acid

REV

REV
Name:	2,3-dimethoxy-5-[(1S)-1-phenylpropyl]benzene-1,4-diol
Formula:	C17 H20 O4
SMILES:	O(c1c(O)c(cc(O)c1OC)C(c2ccccc2)CC)C
InChi:	InChI=1S/C17H20O4/c1-4-12(11-8-6-5-7-9-11)13-10-14(18)16(20-2)17(21-3)15(13)19/h5-10,12,18-19H,4H2,1-3H3/t12-/m0/s1
Definition date:	2014-04-25
Last modified:	2024-09-27
Release date:	2014-10-15
Identifier:	2,3-dimethoxy-5-[(1S)-1-phenylpropyl]benzene-1,4-diol

TVE

TVE
Name:	(2~{S},3~{R},4~{R})-3-[5-[(3-carboxyphenyl)carbamoyl]pyrrolidin-3-yl]sulfanyl-4-methyl-5-[(2~{S},3~{R})-3-oxidanyl-1-oxidanylidene-butan-2-yl]-3,4-dihydro-2~{H}-pyrrole-2-carboxylic acid
Formula:	C22 H27 N3 O7 S
SMILES:	C[CH](O)[CH](C=O)C1=N[CH]([CH](SC2CNC(C2)C(=O)Nc3cccc(c3)C(O)=O)[CH]1C)C(O)=O
InChi:	InChI=1S/C22H27N3O7S/c1-10-17(15(9-26)11(2)27)25-18(22(31)32)19(10)33-14-7-16(23-8-14)20(28)24-13-5-3-4-12(6-13)21(29)30/h3-6,9-11,14-16,18-19,23,27H,7-8H2,1-2H3,(H,24,28)(H,29,30)(H,31,32)/t10-,11-,14?,15-,16?,18-,19-/m1/s1
Definition date:	2021-01-13
Last modified:	2024-09-27
Release date:	2021-07-21
Identifier:	(2~{S},3~{R},4~{R})-3-[(5~{S})-5-[(3-carboxyphenyl)carbamoyl]pyrrolidin-3-yl]sulfanyl-4-methyl-5-[(2~{S},3~{R})-3-oxidanyl-1-oxidanylidene-butan-2-yl]-3,4-dihydro-2~{H}-pyrrole-2-carboxylic acid

LPH

LPH
Name:	L-Propargylglycine
Formula:	C5 H7 N O2
SMILES:	O=C(O)C(N)CC#C
InChi:	InChI=1S/C5H7NO2/c1-2-3-4(6)5(7)8/h1,4H,3,6H2,(H,7,8)/t4-/m0/s1
Synonyms:	(2S)-2-aminopent-4-ynoic acid
Definition date:	2014-10-03
Last modified:	2024-09-27
Release date:	2014-10-29
Identifier:	(2S)-2-aminopent-4-ynoic acid

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