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PLR

PLR
Name:	(5-HYDROXY-4,6-DIMETHYLPYRIDIN-3-YL)METHYL DIHYDROGEN PHOSPHATE
Formula:	C8 H12 N O5 P
SMILES:	O=P(O)(O)OCc1cnc(c(O)c1C)C
InChi:	InChI=1S/C8H12NO5P/c1-5-7(4-14-15(11,12)13)3-9-6(2)8(5)10/h3,10H,4H2,1-2H3,(H2,11,12,13)
Synonyms:	4'-DEOXYPYRIDOXINE PHOSPHATE
Definition date:	2003-07-03
Last modified:	2024-09-27
Identifier:	(5-hydroxy-4,6-dimethylpyridin-3-yl)methyl dihydrogen phosphate

WY4

WY4
Name:	7-(5,6-DIHYDRO-8H-IMIDAZO[2,1-C][1,4]OXAZIN-2-YL)-6-FORMYL-2,7-DIHYDRO- [1,4]THIAZEPINE-3-CARBOXYLIC ACID
Formula:	C13 H13 N3 O4 S
SMILES:	O=C(O)C1=NC=C(C=O)C(SC1)c2nc3n(c2)CCOC3
InChi:	InChI=1S/C13H13N3O4S/c17-5-8-3-14-10(13(18)19)7-21-12(8)9-4-16-1-2-20-6-11(16)15-9/h3-5,12H,1-2,6-7H2,(H,18,19)/t12-/m1/s1
Definition date:	2003-03-05
Last modified:	2024-09-27
Identifier:	(7R)-7-(5,6-dihydro-8H-imidazo[2,1-c][1,4]oxazin-2-yl)-6-formyl-2,7-dihydro-1,4-thiazepine-3-carboxylic acid

PLS

PLS
Name:	[3-HYDROXY-2-METHYL-5-PHOSPHONOOXYMETHYL-PYRIDIN-4-YLMETHYL]-SERINE
Formula:	C11 H17 N2 O8 P
SMILES:	O=C(O)C(NCc1c(cnc(c1O)C)COP(=O)(O)O)CO
InChi:	InChI=1S/C11H17N2O8P/c1-6-10(15)8(3-13-9(4-14)11(16)17)7(2-12-6)5-21-22(18,19)20/h2,9,13-15H,3-5H2,1H3,(H,16,17)(H2,18,19,20)/t9-/m0/s1
Synonyms:	PYRIDOXYL-SERINE-5-MONOPHOSPHATE
Definition date:	1999-07-08
Last modified:	2024-09-27
Identifier:	N-({3-hydroxy-2-methyl-5-[(phosphonooxy)methyl]pyridin-4-yl}methyl)-L-serine

KBE

KBE
Name:	beta-lysine
Formula:	C6 H14 N2 O2
SMILES:	NCCC[CH](N)CC(O)=O
InChi:	InChI=1S/C6H14N2O2/c7-3-1-2-5(8)4-6(9)10/h5H,1-4,7-8H2,(H,9,10)/t5-/m0/s1
Synonyms:	(3S)-3,6-diaminohexanoic acid
Definition date:	2010-02-05
Last modified:	2024-09-27
Identifier:	(3S)-3,6-bis(azanyl)hexanoic acid

OTH

OTH
Name:	N,O-dimethyl-L-threonine
Formula:	C6 H13 N O3
SMILES:	O=C(O)C(NC)C(OC)C
InChi:	InChI=1S/C6H13NO3/c1-4(10-3)5(7-2)6(8)9/h4-5,7H,1-3H3,(H,8,9)/t4-,5+/m1/s1
Definition date:	2010-05-20
Last modified:	2024-09-27
Identifier:	N,O-dimethyl-L-threonine

KBH

KBH
Name:	4-(4-fluorophenyl)-3-fluorosulfonyl-benzoic acid
Formula:	C13 H8 F2 O4 S
SMILES:	OC(=O)c1ccc(c2ccc(F)cc2)c(c1)[S](F)(=O)=O
InChi:	InChI=1S/C13H8F2O4S/c14-10-4-1-8(2-5-10)11-6-3-9(13(16)17)7-12(11)20(15,18)19/h1-7H,(H,16,17)
Definition date:	2019-05-09
Last modified:	2024-09-27
Release date:	2019-10-02
Identifier:	4-(4-fluorophenyl)-3-fluorosulfonyl-benzoic acid

LXO

LXO
Name:	4-(pyridin-4-ylamino)butanoic acid
Formula:	C9 H12 N2 O2
SMILES:	OC(=O)CCCNc1ccncc1
InChi:	InChI=1S/C9H12N2O2/c12-9(13)2-1-5-11-8-3-6-10-7-4-8/h3-4,6-7H,1-2,5H2,(H,10,11)(H,12,13)
Definition date:	2022-12-16
Last modified:	2024-09-27
Release date:	2023-12-13
Identifier:	4-(pyridin-4-ylamino)butanoic acid

PLW

PLW
Name:	(2S)-2-[5-(1S,2S)-(1-AMINO-2-METHYL-BUTYL)-[1,2,3]TRIAZOL-1-YL]-PROPIONIC ACID
Formula:	C10 H18 N4 O2
SMILES:	O=C(O)C(n1nncc1C(N)C(C)CC)C
InChi:	InChI=1S/C10H18N4O2/c1-4-6(2)9(11)8-5-12-13-14(8)7(3)10(15)16/h5-7,9H,4,11H2,1-3H3,(H,15,16)/t6-,7-,9-/m0/s1
Definition date:	2011-12-08
Last modified:	2024-09-27
Identifier:	(2S)-2-{5-[(1S,2S)-1-amino-2-methylbutyl]-1H-1,2,3-triazol-1-yl}propanoic acid

PLZ

PLZ
Name:	4-[({3-HYDROXY-2-METHYL-5-[(PHOSPHONOOXY)METHYL]PYRIDIN-4-YL}METHYL)AMINO]BUTANOIC ACID
Formula:	C12 H19 N2 O7 P
SMILES:	O=P(O)(O)OCc1cnc(c(O)c1CNCCCC(=O)O)C
InChi:	InChI=1S/C12H19N2O7P/c1-8-12(17)10(6-13-4-2-3-11(15)16)9(5-14-8)7-21-22(18,19)20/h5,13,17H,2-4,6-7H2,1H3,(H,15,16)(H2,18,19,20)
Definition date:	2007-01-18
Last modified:	2024-09-27
Identifier:	4-[({3-hydroxy-2-methyl-5-[(phosphonooxy)methyl]pyridin-4-yl}methyl)amino]butanoic acid

VO6

VO6
Name:	[(2~{R},4~{S})-2-[4-[[4,6-bis(azanyl)-1,3,5-triazin-2-yl]amino]phenyl]-1,3,2-dithiarsolan-4-yl]methanol
Formula:	C12 H15 As N6 O S2
SMILES:	Nc1nc(N)nc(Nc2ccc(cc2)[As]3SC[CH](CO)S3)n1
InChi:	InChI=1S/C12H15AsN6OS2/c14-10-17-11(15)19-12(18-10)16-8-3-1-7(2-4-8)13-21-6-9(5-20)22-13/h1-4,9,20H,5-6H2,(H5,14,15,16,17,18,19)/t9-,13+/m0/s1
Definition date:	2023-03-20
Last modified:	2024-09-27
Release date:	2024-10-02
Identifier:	[(2~{R},4~{S})-2-[4-[[4,6-bis(azanyl)-1,3,5-triazin-2-yl]amino]phenyl]-1,3,2-dithiarsolan-4-yl]methanol

VO7

VO7
Name:	N-(2-{[2-(dimethylamino)ethyl](methyl)amino}-5-{[4-(1H-indol-3-yl)pyrimidin-2-yl]amino}-4-methoxyphenyl)propanamide
Formula:	C27 H31 N7 O2
SMILES:	c1c(NC([C@H]=C)=O)c(cc(c1Nc4nc(c2c3c(nc2)cccc3)ccn4)OC)N(C)CCN(C)C
InChi:	InChI=1S/C27H31N7O2/c1-6-26(35)30-22-15-23(25(36-5)16-24(22)34(4)14-13-33(2)3)32-27-28-12-11-21(31-27)19-17-29-20-10-8-7-9-18(19)20/h6-12,15-17,29H,1,13-14H2,2-5H3,(H,30,35)(H,28,31,32)
Synonyms:	AZ5104
Definition date:	2020-08-31
Last modified:	2024-09-27
Release date:	2021-09-08
Identifier:	N-(2-{[2-(dimethylamino)ethyl](methyl)amino}-5-{[4-(1H-indol-3-yl)pyrimidin-2-yl]amino}-4-methoxyphenyl)prop-2-enamide

OTO

OTO
Name:	1-cyclopropylcarbonylpyrazolo[4,3-c]pyridine-3-carbonitrile
Formula:	C11 H8 N4 O
SMILES:	O=C(C1CC1)n2nc(C#N)c3cnccc23
InChi:	InChI=1S/C11H8N4O/c12-5-9-8-6-13-4-3-10(8)15(14-9)11(16)7-1-2-7/h3-4,6-7H,1-2H2
Definition date:	2022-09-20
Last modified:	2024-09-27
Release date:	2023-09-20
Identifier:	1-cyclopropylcarbonylpyrazolo[4,3-c]pyridine-3-carbonitrile

KBO

KBO
Name:	2-ethyl-2-methanoyl-~{N}-[3-[[4-(quinolin-8-ylmethyl)piperazin-1-yl]methyl]phenyl]butanamide
Formula:	C28 H34 N4 O2
SMILES:	CCC(CC)(C=O)C(=O)Nc1cccc(CN2CCN(CC2)Cc3cccc4cccnc34)c1
InChi:	InChI=1S/C28H34N4O2/c1-3-28(4-2,21-33)27(34)30-25-12-5-8-22(18-25)19-31-14-16-32(17-15-31)20-24-10-6-9-23-11-7-13-29-26(23)24/h5-13,18,21H,3-4,14-17,19-20H2,1-2H3,(H,30,34)
Definition date:	2022-05-23
Last modified:	2024-09-27
Release date:	2022-09-28
Identifier:	2-ethyl-2-methanoyl-~{N}-[3-[[4-(quinolin-8-ylmethyl)piperazin-1-yl]methyl]phenyl]butanamide

LXV

LXV
Name:	2,5-dibromo-N-{(3R,5S)-1-[(Z)-iminomethyl]-5-methylpyrrolidin-3-yl}benzenesulfonamide
Formula:	C12 H15 Br2 N3 O2 S
SMILES:	Brc1cc(c(Br)cc1)S(=O)(=O)NC2CC(N(C=[N@H])C2)C
InChi:	InChI=1S/C12H15Br2N3O2S/c1-8-4-10(6-17(8)7-15)16-20(18,19)12-5-9(13)2-3-11(12)14/h2-3,5,7-8,10,15-16H,4,6H2,1H3/b15-7+/t8-,10+/m0/s1
Definition date:	2010-11-02
Last modified:	2024-09-27
Identifier:	2,5-dibromo-N-{(3R,5S)-1-[(Z)-iminomethyl]-5-methylpyrrolidin-3-yl}benzenesulfonamide

PM3

PM3
Name:	2-AMINO-3-(4-PHOSPHONOMETHYL-PHENYL)-PROPIONIC ACID
Formula:	C10 H14 N O5 P
SMILES:	O=C(O)C(N)Cc1ccc(cc1)CP(=O)(O)O
InChi:	InChI=1S/C10H14NO5P/c11-9(10(12)13)5-7-1-3-8(4-2-7)6-17(14,15)16/h1-4,9H,5-6,11H2,(H,12,13)(H2,14,15,16)/t9-/m0/s1
Definition date:	2006-05-03
Last modified:	2024-09-27
Identifier:	4-(phosphonomethyl)-L-phenylalanine

MCM

MCM
Name:	7-AMINO-4-METHYL-CHROMEN-2-ONE
Formula:	C10 H9 N O2
SMILES:	O=C2Oc1cc(ccc1C(=C2)C)N
InChi:	InChI=1S/C10H9NO2/c1-6-4-10(12)13-9-5-7(11)2-3-8(6)9/h2-5H,11H2,1H3
Synonyms:	7-AMINO-4-METHYLCOUMARIN
Definition date:	2003-01-09
Last modified:	2024-09-27
Identifier:	7-amino-4-methyl-2H-chromen-2-one

PM4

PM4
Name:	S-(2-{[N-(2-HYDROXY-4-{[HYDROXY(OXIDO)PHOSPHINO]OXY}-3,3-DIMETHYLBUTANOYL)-BETA-ALANYL]AMINO}ETHYL) HEXANETHIOATE
Formula:	C17 H33 N2 O7 P S
SMILES:	O=C(SCCNC(=O)CCNC(=O)C(O)C(C)(C)COP(=O)O)CCCCC
InChi:	InChI=1S/C17H33N2O7PS/c1-4-5-6-7-14(21)28-11-10-18-13(20)8-9-19-16(23)15(22)17(2,3)12-26-27(24)25/h15,22,27H,4-12H2,1-3H3,(H,18,20)(H,19,23)(H,24,25)/t15-/m0/s1
Definition date:	2005-12-19
Last modified:	2024-09-27
Identifier:	S-[2-({N-[(2R)-2-hydroxy-4-{[(R)-hydroxy(oxido)phosphanyl]oxy}-3,3-dimethylbutanoyl]-beta-alanyl}amino)ethyl] hexanethioate

PM5

PM5
Name:	S-(2-{[N-(2-HYDROXY-4-{[HYDROXY(OXIDO)PHOSPHINO]OXY}-3,3-DIMETHYLBUTANOYL)-BETA-ALANYL]AMINO}ETHYL) HEPTANETHIOATE
Formula:	C18 H35 N2 O7 P S
SMILES:	O=C(SCCNC(=O)CCNC(=O)C(O)C(C)(C)COP(=O)O)CCCCCC
InChi:	InChI=1S/C18H35N2O7PS/c1-4-5-6-7-8-15(22)29-12-11-19-14(21)9-10-20-17(24)16(23)18(2,3)13-27-28(25)26/h16,23,28H,4-13H2,1-3H3,(H,19,21)(H,20,24)(H,25,26)/t16-/m0/s1
Definition date:	2005-12-19
Last modified:	2024-09-27
Identifier:	S-[2-({N-[(2R)-2-hydroxy-4-{[(R)-hydroxy(oxido)phosphanyl]oxy}-3,3-dimethylbutanoyl]-beta-alanyl}amino)ethyl] heptanethioate

VOD

VOD
Name:	(4-VINYLPHENYL)METHANESULFONIC ACID
Formula:	C9 H10 O3 S
SMILES:	O=S(=O)(O)Cc1ccc(cc1)C=C
InChi:	InChI=1S/C9H10O3S/c1-2-8-3-5-9(6-4-8)7-13(10,11)12/h2-6H,1,7H2,(H,10,11,12)
Definition date:	2014-05-09
Last modified:	2024-09-27
Release date:	2015-10-07
Identifier:	(4-ethenylphenyl)methanesulfonic acid

WYK

WYK
Name:	(2S,4S)-4-hydroxy-L-arginine
Formula:	C6 H14 N4 O3
SMILES:	N[CH](C[CH](O)CNC(N)=N)C(O)=O
InChi:	InChI=1S/C6H14N4O3/c7-4(5(12)13)1-3(11)2-10-6(8)9/h3-4,11H,1-2,7H2,(H,12,13)(H4,8,9,10)/t3-,4-/m0/s1
Synonyms:	(2S,4S)-2-azanyl-5-carbamimidamido-4-oxidanyl-pentanoic acid
Definition date:	2023-05-23
Last modified:	2024-09-27
Release date:	2023-08-09
Identifier:	(2~{S},4~{S})-2-azanyl-5-carbamimidamido-4-oxidanyl-pentanoic acid

LXZ

LXZ
Name:	2-acetamido-2-deoxy-alpha-D-idopyranose
Formula:	C8 H15 N O6
SMILES:	O=C(NC1C(O)C(O)C(OC1O)CO)C
InChi:	InChI=1S/C8H15NO6/c1-3(11)9-5-7(13)6(12)4(2-10)15-8(5)14/h4-8,10,12-14H,2H2,1H3,(H,9,11)/t4-,5+,6+,7+,8+/m1/s1
Synonyms:	N-acetyl-alpha-D-idosamine
Definition date:	2008-07-09
Last modified:	2024-09-27
Identifier:	2-(acetylamino)-2-deoxy-alpha-D-idopyranose

PM8

PM8
Name:	S-(2-{[N-(2-HYDROXY-4-{[HYDROXY(OXIDO)PHOSPHINO]OXY}-3,3-DIMETHYLBUTANOYL)-BETA-ALANYL]AMINO}ETHYL) DECANETHIOATE
Formula:	C21 H41 N2 O7 P S
SMILES:	O=C(SCCNC(=O)CCNC(=O)C(O)C(C)(C)COP(=O)O)CCCCCCCCC
InChi:	InChI=1S/C21H41N2O7PS/c1-4-5-6-7-8-9-10-11-18(25)32-15-14-22-17(24)12-13-23-20(27)19(26)21(2,3)16-30-31(28)29/h19,26,31H,4-16H2,1-3H3,(H,22,24)(H,23,27)(H,28,29)/t19-/m0/s1
Definition date:	2005-12-19
Last modified:	2024-09-27
Identifier:	S-[2-({N-[(2R)-2-hydroxy-4-{[(R)-hydroxy(oxido)phosphanyl]oxy}-3,3-dimethylbutanoyl]-beta-alanyl}amino)ethyl] decanethioate

MCR

MCR
Name:	SULFANYLACETIC ACID
Formula:	C2 H4 O2 S
SMILES:	O=C(O)CS
InChi:	InChI=1S/C2H4O2S/c3-2(4)1-5/h5H,1H2,(H,3,4)
Synonyms:	MERCAPTOACETIC ACID
Definition date:	2003-02-12
Last modified:	2024-09-27
Identifier:	sulfanylacetic acid

MCS

MCS
Name:	MALONYL CYSTEINE
Formula:	C6 H9 N O5 S
SMILES:	O=C(O)C(N)CSC(=O)CC(=O)O
InChi:	InChI=1S/C6H9NO5S/c7-3(6(11)12)2-13-5(10)1-4(8)9/h3H,1-2,7H2,(H,8,9)(H,11,12)/t3-/m0/s1
Definition date:	2007-02-02
Last modified:	2024-09-27
Identifier:	S-(carboxyacetyl)-L-cysteine

MCT

MCT
Name:	4-METHYLCATECHOL
Formula:	C7 H8 O2
SMILES:	Oc1ccc(cc1O)C
InChi:	InChI=1S/C7H8O2/c1-5-2-3-6(8)7(9)4-5/h2-4,8-9H,1H3
Synonyms:	4-METHYL-1,2-BENZENEDIOL
Definition date:	1999-12-17
Last modified:	2024-09-27
Identifier:	4-methylbenzene-1,2-diol

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