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MRF

MRF
Name:	2-chloranyl-~{N}-[[1-[4-(4-chloranylphenoxy)piperidin-4-yl]carbonylpiperidin-4-yl]methyl]ethanamide
Formula:	C20 H27 Cl2 N3 O3
SMILES:	ClCC(=O)NCC1CCN(CC1)C(=O)C2(CCNCC2)Oc3ccc(Cl)cc3
InChi:	InChI=1S/C20H27Cl2N3O3/c21-13-18(26)24-14-15-5-11-25(12-6-15)19(27)20(7-9-23-10-8-20)28-17-3-1-16(22)2-4-17/h1-4,15,23H,5-14H2,(H,24,26)
Definition date:	2022-08-04
Last modified:	2024-09-27
Release date:	2023-09-20
Identifier:	2-chloranyl-~{N}-[[1-[4-(4-chloranylphenoxy)piperidin-4-yl]carbonylpiperidin-4-yl]methyl]ethanamide

MRG

MRG
Name:	N2-(3-MERCAPTOPROPYL)-2'-DEOXYGUANOSINE-5'-MONOPHOSPHATE
Formula:	C13 H20 N5 O7 P S
SMILES:	O=C1c2ncn(c2N=C(NCCCS)N1)C3OC(C(O)C3)COP(=O)(O)O
InChi:	InChI=1S/C13H20N5O7PS/c19-7-4-9(25-8(7)5-24-26(21,22)23)18-6-15-10-11(18)16-13(17-12(10)20)14-2-1-3-27/h6-9,19,27H,1-5H2,(H2,21,22,23)(H2,14,16,17,20)/t7-,8+,9+/m0/s1
Definition date:	2002-12-09
Last modified:	2024-09-27
Identifier:	2'-deoxy-N-(3-sulfanylpropyl)guanosine 5'-(dihydrogen phosphate)

MRJ

MRJ
Name:	N-[2-(dodecanoylamino)ethyl]-N~3~-[(2R)-2-hydroxy-3,3-dimethyl-4-(phosphonooxy)butanoyl]-beta-alaninamide
Formula:	C23 H46 N3 O8 P
SMILES:	OP(O)(=O)OCC(C)(C(O)C(=O)NCCC(=O)NCCNC(CCCCCCCCCCC)=O)C
InChi:	InChI=1S/C23H46N3O8P/c1-4-5-6-7-8-9-10-11-12-13-19(27)24-16-17-25-20(28)14-15-26-22(30)21(29)23(2,3)18-34-35(31,32)33/h21,29H,4-18H2,1-3H3,(H,24,27)(H,25,28)(H,26,30)(H2,31,32,33)/t21-/m0/s1
Definition date:	2019-04-15
Last modified:	2024-09-27
Release date:	2020-04-15
Identifier:	N-[2-(dodecanoylamino)ethyl]-N~3~-[(2R)-2-hydroxy-3,3-dimethyl-4-(phosphonooxy)butanoyl]-beta-alaninamide

MS6

MS6
Name:	(2S)-2-amino-4-(methylsulfanyl)butane-1-thiol
Formula:	C5 H13 N S2
SMILES:	C(N)(CS)CCSC
InChi:	InChI=1S/C5H13NS2/c1-8-3-2-5(6)4-7/h5,7H,2-4,6H2,1H3/t5-/m0/s1
Definition date:	2020-09-03
Last modified:	2024-09-27
Release date:	2020-09-23
Identifier:	(2S)-2-amino-4-(methylsulfanyl)butane-1-thiol

MSA

MSA
Name:	(2-S-METHYL) SARCOSINE
Formula:	C4 H9 N O2 S
SMILES:	O=C(O)C(SC)NC
InChi:	InChI=1S/C4H9NO2S/c1-5-3(8-2)4(6)7/h3,5H,1-2H3,(H,6,7)/t3-/m1/s1
Definition date:	1999-07-08
Last modified:	2024-09-27
Identifier:	(2R)-(methylamino)(methylsulfanyl)ethanoic acid

MSE

MSE
Name:	SELENOMETHIONINE
Formula:	C5 H11 N O2 Se
SMILES:	O=C(O)C(N)CC[Se]C
InChi:	InChI=1S/C5H11NO2Se/c1-9-3-2-4(6)5(7)8/h4H,2-3,6H2,1H3,(H,7,8)/t4-/m0/s1
Definition date:	1999-07-08
Last modified:	2024-09-27
Identifier:	(2S)-2-amino-4-(methylselanyl)butanoic acid

13E

13E
Name:	N-[(2S)-2-amino-3-phenylpropyl]-L-methionine
Formula:	C14 H22 N2 O2 S
SMILES:	O=C(O)C(NCC(N)Cc1ccccc1)CCSC
InChi:	InChI=1S/C14H22N2O2S/c1-19-8-7-13(14(17)18)16-10-12(15)9-11-5-3-2-4-6-11/h2-6,12-13,16H,7-10,15H2,1H3,(H,17,18)/t12-,13-/m0/s1
Definition date:	2012-10-02
Last modified:	2024-09-27
Release date:	2012-12-07
Identifier:	N-[(2S)-2-amino-3-phenylpropyl]-L-methionine

MSI

MSI
Name:	1-METHYL-5-(2-PHENOXYMETHYL-PYRROLIDINE-1-SULFONYL)-1H-INDOLE-2,3-DIONE
Formula:	C20 H20 N2 O5 S
SMILES:	O=S(=O)(c2cc1C(=O)C(=O)N(c1cc2)C)N4C(COc3ccccc3)CCC4
InChi:	InChI=1S/C20H20N2O5S/c1-21-18-10-9-16(12-17(18)19(23)20(21)24)28(25,26)22-11-5-6-14(22)13-27-15-7-3-2-4-8-15/h2-4,7-10,12,14H,5-6,11,13H2,1H3/t14-/m0/s1
Definition date:	1999-07-08
Last modified:	2024-09-27
Identifier:	1-methyl-5-{[(2S)-2-(phenoxymethyl)pyrrolidin-1-yl]sulfonyl}-1H-indole-2,3-dione

13J

13J
Name:	3-{4-amino-1-[(3S)-1-propanoylpiperidin-3-yl]-1H-pyrazolo[3,4-d]pyrimidin-3-yl}-N-[4-(propan-2-yl)phenyl]benzamide
Formula:	C29 H33 N7 O2
SMILES:	O=C(Nc1ccc(cc1)C(C)C)c5cccc(c3nn(c2ncnc(c23)N)C4CCCN(C(=O)CC)C4)c5
InChi:	InChI=1S/C29H33N7O2/c1-4-24(37)35-14-6-9-23(16-35)36-28-25(27(30)31-17-32-28)26(34-36)20-7-5-8-21(15-20)29(38)33-22-12-10-19(11-13-22)18(2)3/h5,7-8,10-13,15,17-18,23H,4,6,9,14,16H2,1-3H3,(H,33,38)(H2,30,31,32)/t23-/m0/s1
Definition date:	2012-10-03
Last modified:	2024-09-27
Release date:	2012-11-09
Identifier:	3-{4-amino-1-[(3S)-1-propanoylpiperidin-3-yl]-1H-pyrazolo[3,4-d]pyrimidin-3-yl}-N-[4-(propan-2-yl)phenyl]benzamide

13L

13L
Name:	3-{4-amino-1-[(3R)-1-propanoylpiperidin-3-yl]-1H-pyrazolo[3,4-d]pyrimidin-3-yl}-N-[4-(propan-2-yl)phenyl]benzamide
Formula:	C29 H33 N7 O2
SMILES:	O=C(Nc1ccc(cc1)C(C)C)c5cccc(c3nn(c2ncnc(c23)N)C4CCCN(C(=O)CC)C4)c5
InChi:	InChI=1S/C29H33N7O2/c1-4-24(37)35-14-6-9-23(16-35)36-28-25(27(30)31-17-32-28)26(34-36)20-7-5-8-21(15-20)29(38)33-22-12-10-19(11-13-22)18(2)3/h5,7-8,10-13,15,17-18,23H,4,6,9,14,16H2,1-3H3,(H,33,38)(H2,30,31,32)/t23-/m1/s1
Definition date:	2012-10-03
Last modified:	2024-09-27
Release date:	2012-11-09
Identifier:	3-{4-amino-1-[(3R)-1-propanoylpiperidin-3-yl]-1H-pyrazolo[3,4-d]pyrimidin-3-yl}-N-[4-(propan-2-yl)phenyl]benzamide

MSO

MSO
Name:	SELENOMETHIONINE SELENOXIDE
Formula:	C5 H11 N O3 Se
SMILES:	O=C(O)C(N)CC[Se](=O)C
InChi:	InChI=1S/C5H11NO3Se/c1-10(9)3-2-4(6)5(7)8/h4H,2-3,6H2,1H3,(H,7,8)/t4-,10+/m0/s1
Definition date:	2000-08-18
Last modified:	2024-09-27
Identifier:	(2S)-2-amino-4-(methylseleninyl)butanoic acid

13P

13P
Name:	1,3-DIHYDROXYACETONEPHOSPHATE
Formula:	C3 H7 O6 P
SMILES:	O=P(O)(O)OCC(=O)CO
InChi:	InChI=1S/C3H7O6P/c4-1-3(5)2-9-10(6,7)8/h4H,1-2H2,(H2,6,7,8)
Definition date:	1999-07-08
Last modified:	2024-09-27
Identifier:	3-hydroxy-2-oxopropyl dihydrogen phosphate

MSU

MSU
Name:	SUCCINIC ACID MONOMETHYL ESTER
Formula:	C5 H8 O4
SMILES:	O=C(O)CCC(=O)OC
InChi:	InChI=1S/C5H8O4/c1-9-5(8)3-2-4(6)7/h2-3H2,1H3,(H,6,7)
Definition date:	1999-07-08
Last modified:	2024-09-27
Identifier:	4-methoxy-4-oxobutanoic acid

MSW

MSW
Name:	[(1S)-2-(methoxycarbonylamino)-1-phenyl-ethoxy]-propyl-phosphinic acid
Formula:	C13 H20 N O5 P
SMILES:	CCC[P](O)(=O)O[CH](CNC(=O)OC)c1ccccc1
InChi:	InChI=1S/C13H20NO5P/c1-3-9-20(16,17)19-12(10-14-13(15)18-2)11-7-5-4-6-8-11/h4-8,12H,3,9-10H2,1-2H3,(H,14,15)(H,16,17)/t12-/m1/s1
Definition date:	2016-09-06
Last modified:	2024-09-27
Release date:	2017-09-13
Identifier:	[(1~{S})-2-(methoxycarbonylamino)-1-phenyl-ethoxy]-propyl-phosphinic acid

13Z

13Z
Name:	2-[(2-{(2S,4S)-2-[(R)-(5-tert-butyl-1,3,4-oxadiazol-2-yl)(hydroxy)methyl]-4-fluoropyrrolidin-1-yl}-2-oxoethyl)amino]-2-methylpropan-1-ol
Formula:	C17 H29 F N4 O4
SMILES:	FC1CC(N(C(=O)CNC(C)(C)CO)C1)C(O)c2nnc(o2)C(C)(C)C
InChi:	InChI=1S/C17H29FN4O4/c1-16(2,3)15-21-20-14(26-15)13(25)11-6-10(18)8-22(11)12(24)7-19-17(4,5)9-23/h10-11,13,19,23,25H,6-9H2,1-5H3/t10-,11-,13+/m0/s1
Definition date:	2008-02-12
Last modified:	2024-09-27
Identifier:	2-[(2-{(2S,4S)-2-[(R)-(5-tert-butyl-1,3,4-oxadiazol-2-yl)(hydroxy)methyl]-4-fluoropyrrolidin-1-yl}-2-oxoethyl)amino]-2-methylpropan-1-ol

MT2

MT2
Name:	[(3S)-3-amino-3-carboxypropyl](ethyl)methylsulfonium
Formula:	C7 H16 N O2 S
SMILES:	O=C(O)C(N)CC[S+](C)CC
InChi:	InChI=1S/C7H15NO2S/c1-3-11(2)5-4-6(8)7(9)10/h6H,3-5,8H2,1-2H3/p+1/t6-,11+/m0/s1
Synonyms:	S-ethyl-L-Methionine
Definition date:	2008-02-18
Last modified:	2024-09-27
Identifier:	[(3S)-3-amino-3-carboxypropyl](ethyl)methylsulfonium

143

143
Name:	S-2,3-DIHYDRO-5-GLYCIN-2-YL-ISOXAZOL-3-YL-CYSTEINE
Formula:	C8 H13 N3 O5 S
SMILES:	O=C(O)C(C=1ONC(SCC(N)C(=O)O)C=1)N
InChi:	InChI=1S/C8H13N3O5S/c9-3(7(12)13)2-17-5-1-4(16-11-5)6(10)8(14)15/h1,3,5-6,11H,2,9-10H2,(H,12,13)(H,14,15)/t3-,5+,6-/m0/s1
Synonyms:	2-AMINO-3-[5-(AMINO-CARBOXY-METHYL)-2,3-DIHYDRO-ISOXAZOL-3-YLSULFANYL]-PROPIONIC ACID
Definition date:	2001-09-05
Last modified:	2024-09-27
Identifier:	S-{(3R)-5-[(S)-amino(carboxy)methyl]-2,3-dihydroisoxazol-3-yl}-L-cysteine

MTN

MTN
Name:	S-[(1-oxyl-2,2,5,5-tetramethyl-2,5-dihydro-1H-pyrrol-3-yl)methyl] methanesulfonothioate
Formula:	C10 H18 N O3 S2
SMILES:	ON1C(C=C(CSS(=O)(=O)C)C1(C)C)(C)C
InChi:	InChI=1S/C10H19NO3S2/c1-9(2)6-8(7-15-16(5,13)14)10(3,4)11(9)12/h6,12H,7H2,1-5H3
Synonyms:	MTSL
Definition date:	2003-12-10
Last modified:	2024-09-27
Identifier:	S-[(1-hydroxy-2,2,5,5-tetramethyl-2,5-dihydro-1H-pyrrol-3-yl)methyl] methanesulfonothioate

14U

14U
Name:	(2S)-2-methyl-3-oxooctadecanoic acid
Formula:	C19 H36 O3
SMILES:	O=C(CCCCCCCCCCCCCCC)C(C(=O)O)C
InChi:	InChI=1S/C19H36O3/c1-3-4-5-6-7-8-9-10-11-12-13-14-15-16-18(20)17(2)19(21)22/h17H,3-16H2,1-2H3,(H,21,22)/t17-/m0/s1
Definition date:	2011-06-28
Last modified:	2024-09-27
Release date:	2013-04-24
Identifier:	(2S)-2-methyl-3-oxooctadecanoic acid

14V

14V
Name:	3,5-dioxoicosanoic acid
Formula:	C20 H36 O4
SMILES:	O=C(CC(=O)CC(=O)O)CCCCCCCCCCCCCCC
InChi:	InChI=1S/C20H36O4/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-18(21)16-19(22)17-20(23)24/h2-17H2,1H3,(H,23,24)
Definition date:	2011-06-28
Last modified:	2024-09-27
Release date:	2013-04-24
Identifier:	3,5-dioxoicosanoic acid

MTX

MTX
Name:	METHOTREXATE
Formula:	C20 H22 N8 O5
SMILES:	O=C(O)C(NC(=O)c1ccc(cc1)N(C)Cc2nc3c(nc2)nc(nc3N)N)CCC(=O)O
InChi:	InChI=1S/C20H22N8O5/c1-28(9-11-8-23-17-15(24-11)16(21)26-20(22)27-17)12-4-2-10(3-5-12)18(31)25-13(19(32)33)6-7-14(29)30/h2-5,8,13H,6-7,9H2,1H3,(H,25,31)(H,29,30)(H,32,33)(H4,21,22,23,26,27)/t13-/m0/s1
Definition date:	1999-07-08
Last modified:	2024-09-27
Identifier:	N-[(4-{[(2,4-diaminopteridin-6-yl)methyl](methyl)amino}phenyl)carbonyl]-L-glutamic acid

MTY

MTY
Name:	META-TYROSINE
Formula:	C9 H11 N O3
SMILES:	O=C(O)C(N)Cc1cc(O)ccc1
InChi:	InChI=1S/C9H11NO3/c10-8(9(12)13)5-6-2-1-3-7(11)4-6/h1-4,8,11H,5,10H2,(H,12,13)/t8-/m0/s1
Definition date:	1999-07-08
Last modified:	2024-09-27
Identifier:	3-hydroxy-L-phenylalanine

151

151
Name:	(2S)-3-METHYL-2-((2R,3S)-3-[(METHYLSULFONYL)AMINO]-1-{[2-(PYRROLIDIN-1-YLMETHYL)-1,3-OXAZOL-4-YL]CARBONYL}PYRROLIDIN-2-YL)BUTANOIC ACID
Formula:	C19 H30 N4 O6 S
SMILES:	O=C(O)C(C(C)C)C3N(C(=O)c1nc(oc1)CN2CCCC2)CCC3NS(=O)(=O)C
InChi:	InChI=1S/C19H30N4O6S/c1-12(2)16(19(25)26)17-13(21-30(3,27)28)6-9-23(17)18(24)14-11-29-15(20-14)10-22-7-4-5-8-22/h11-13,16-17,21H,4-10H2,1-3H3,(H,25,26)/t13-,16+,17-/m1/s1
Definition date:	2002-07-05
Last modified:	2024-09-27
Identifier:	(2S)-3-methyl-2-[(2S,3R)-3-[(methylsulfonyl)amino]-1-{[2-(pyrrolidin-1-ylmethyl)-1,3-oxazol-4-yl]carbonyl}pyrrolidin-2-yl]butanoic acid

MU4

MU4
Name:	N-[2-(hexadecanoylamino)ethyl]-N~3~-[(2R)-2-hydroxy-3,3-dimethyl-4-(phosphonooxy)butanoyl]-beta-alaninamide
Formula:	C27 H54 N3 O8 P
SMILES:	OP(OCC(C)(C(O)C(=O)NCCC(=O)NCCNC(CCCCCCCCCCCCCCC)=O)C)(=O)O
InChi:	InChI=1S/C27H54N3O8P/c1-4-5-6-7-8-9-10-11-12-13-14-15-16-17-23(31)28-20-21-29-24(32)18-19-30-26(34)25(33)27(2,3)22-38-39(35,36)37/h25,33H,4-22H2,1-3H3,(H,28,31)(H,29,32)(H,30,34)(H2,35,36,37)/t25-/m0/s1
Definition date:	2019-04-15
Last modified:	2024-09-27
Release date:	2020-04-22
Identifier:	N-[2-(hexadecanoylamino)ethyl]-N~3~-[(2R)-2-hydroxy-3,3-dimethyl-4-(phosphonooxy)butanoyl]-beta-alaninamide

157

157
Name:	6-(2-HYDROXY-CYCLOPENTYL)-7-OXO-HEPTANAMIDINE
Formula:	C12 H22 N2 O2
SMILES:	O=CC(CCCCC(=[N@H])N)C1CCCC1O
InChi:	InChI=1S/C12H22N2O2/c13-12(14)7-2-1-4-9(8-15)10-5-3-6-11(10)16/h8-11,16H,1-7H2,(H3,13,14)/t9-,10+,11-/m0/s1
Synonyms:	GR157368
Definition date:	1999-07-08
Last modified:	2024-09-27
Identifier:	(1E,6R)-6-[(1R,2S)-2-hydroxycyclopentyl]-7-oxoheptanimidamide

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