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4WQ

4WQ
Name:	(2S)-2-amino-7,7-dimethyloctanoic acid
Formula:	C10 H21 N O2
SMILES:	NC(C(=O)O)CCCCC(C)(C)C
InChi:	InChI=1S/C10H21NO2/c1-10(2,3)7-5-4-6-8(11)9(12)13/h8H,4-7,11H2,1-3H3,(H,12,13)/t8-/m0/s1
Definition date:	2015-06-12
Last modified:	2024-09-27
Release date:	2015-07-01
Identifier:	(2S)-2-amino-7,7-dimethyloctanoic acid

MAF

MAF
Name:	2-deoxy-2-fluoro-alpha-D-mannopyranose
Formula:	C6 H11 F O5
SMILES:	FC1C(O)C(O)C(OC1O)CO
InChi:	InChI=1S/C6H11FO5/c7-3-5(10)4(9)2(1-8)12-6(3)11/h2-6,8-11H,1H2/t2-,3+,4-,5-,6-/m1/s1
Synonyms:	2-DEOXY-2-FLUORO-ALPHA-D-MANNOSE
Definition date:	2002-02-28
Last modified:	2024-09-27
Identifier:	2-deoxy-2-fluoro-alpha-D-mannopyranose

MAH

MAH
Name:	3-HYDROXY-3-METHYL-GLUTARIC ACID
Formula:	C6 H10 O5
SMILES:	O=C(O)CC(O)(C)CC(=O)O
InChi:	InChI=1S/C6H10O5/c1-6(11,2-4(7)8)3-5(9)10/h11H,2-3H2,1H3,(H,7,8)(H,9,10)
Definition date:	2000-01-12
Last modified:	2024-09-27
Identifier:	3-hydroxy-3-methylpentanedioic acid

MAN

MAN
Name:	alpha-D-mannopyranose
Formula:	C6 H12 O6
SMILES:	OC1C(O)C(OC(O)C1O)CO
InChi:	InChI=1S/C6H12O6/c7-1-2-3(8)4(9)5(10)6(11)12-2/h2-11H,1H2/t2-,3-,4+,5+,6+/m1/s1
Synonyms:	alpha-D-mannose
Definition date:	1999-07-08
Last modified:	2024-09-27
Identifier:	alpha-D-mannopyranose

MAO

MAO
Name:	5'-DEOXY-5'-[N-METHYL-N-(2-AMINOOXYETHYL) AMINO]ADENOSINE
Formula:	C13 H21 N7 O4
SMILES:	n2c1c(ncnc1n(c2)C3OC(C(O)C3O)CN(CCON)C)N
InChi:	InChI=1S/C13H21N7O4/c1-19(2-3-23-15)4-7-9(21)10(22)13(24-7)20-6-18-8-11(14)16-5-17-12(8)20/h5-7,9-10,13,21-22H,2-4,15H2,1H3,(H2,14,16,17)/t7-,9-,10-,13-/m1/s1
Definition date:	2001-03-12
Last modified:	2024-09-27
Identifier:	5'-{[2-(aminooxy)ethyl](methyl)amino}-5'-deoxyadenosine

MAY

MAY
Name:	METHYL ARACHIDONYL FLUOROPHOSPHONATE
Formula:	C21 H36 F O2 P
SMILES:	FP(=O)(OC)CCCCC=C/CC=C/CC=C/CC=C/CCCCC
InChi:	InChI=1S/C21H36FO2P/c1-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-20-21-25(22,23)24-2/h7-8,10-11,13-14,16-17H,3-6,9,12,15,18-21H2,1-2H3/b8-7-,11-10-,14-13-,17-16-/t25-/m0/s1
Synonyms:	MAFP
Definition date:	2002-10-01
Last modified:	2024-09-27
Identifier:	methyl (S)-(5Z,8Z,11Z,14Z)-icosa-5,8,11,14-tetraen-1-ylphosphonofluoridate

MAZ

MAZ
Name:	FORMIC ACID 3-AMINO-BENZYL ESTER
Formula:	C8 H9 N O3
SMILES:	O=COCc1cc(N)ccc1
InChi:	InChI=1S/C8H9NO3/c9-7-3-1-2-6(4-7)5-12-8(10)11/h1-4H,5,9H2,(H,10,11)
Synonyms:	META-AMINO BENZYLOCARBONYL
Definition date:	2001-09-21
Last modified:	2024-09-27
Identifier:	3-aminobenzyl formate

MB8

MB8
Name:	(2Z)-2-methylbut-2-enoic acid
Formula:	C5 H8 O2
SMILES:	O=C(O)C(=C/C)C
InChi:	InChI=1S/C5H8O2/c1-3-4(2)5(6)7/h3H,1-2H3,(H,6,7)/b4-3-
Definition date:	2012-09-21
Last modified:	2024-09-27
Release date:	2014-05-07
Identifier:	(2Z)-2-methylbut-2-enoic acid

4XP

4XP
Name:	4,4'-propane-1,3-diylbis(1-methyl-1H-1,2,3-triazole)
Formula:	C9 H14 N6
SMILES:	C(Cc1nnn(C)c1)Cc2nnn(c2)C
InChi:	InChI=1S/C9H14N6/c1-14-6-8(10-12-14)4-3-5-9-7-15(2)13-11-9/h6-7H,3-5H2,1-2H3
Definition date:	2015-06-18
Last modified:	2024-09-27
Release date:	2016-06-29
Identifier:	4,4'-propane-1,3-diylbis(1-methyl-1H-1,2,3-triazole)

4XQ

4XQ
Name:	4,4'-pentane-1,5-diylbis(1-propyl-1H-1,2,3-triazole)
Formula:	C15 H26 N6
SMILES:	C(Cn1cc(nn1)CCCCCc2cn(CCC)nn2)C
InChi:	InChI=1S/C15H26N6/c1-3-10-20-12-14(16-18-20)8-6-5-7-9-15-13-21(11-4-2)19-17-15/h12-13H,3-11H2,1-2H3
Definition date:	2015-06-18
Last modified:	2024-09-27
Release date:	2016-06-29
Identifier:	4,4'-pentane-1,5-diylbis(1-propyl-1H-1,2,3-triazole)

MBD

MBD
Name:	3-METHYLCATECHOL
Formula:	C7 H8 O2
SMILES:	Oc1c(cccc1O)C
InChi:	InChI=1S/C7H8O2/c1-5-3-2-4-6(8)7(5)9/h2-4,8-9H,1H3
Synonyms:	3-METHYL-BENZENE-1,2-DIOL
Definition date:	2001-12-19
Last modified:	2024-09-27
Identifier:	3-methylbenzene-1,2-diol

MBQ

MBQ
Name:	2-HYDROXY-5-({1-[(4-METHYLPHENOXY)METHYL]-3-OXOPROP-1-ENYL}AMINO)-L-TYROSINE
Formula:	C20 H22 N2 O6
SMILES:	O=C(O)C(N)Cc2c(O)cc(O)c(NC(=CC=O)COc1ccc(cc1)C)c2
InChi:	InChI=1S/C20H22N2O6/c1-12-2-4-15(5-3-12)28-11-14(6-7-23)22-17-9-13(8-16(21)20(26)27)18(24)10-19(17)25/h2-7,9-10,16,22,24-25H,8,11,21H2,1H3,(H,26,27)/b14-6+/t16-/m0/s1
Definition date:	2004-03-04
Last modified:	2024-09-27
Identifier:	2-hydroxy-5-({(1E)-1-[(4-methylphenoxy)methyl]-3-oxoprop-1-en-1-yl}amino)-L-tyrosine

4Y8

4Y8
Name:	1-hydroxypropan-2-one
Formula:	C3 H6 O2
SMILES:	O=C(C)CO
InChi:	InChI=1S/C3H6O2/c1-3(5)2-4/h4H,2H2,1H3
Definition date:	2015-03-05
Last modified:	2024-09-27
Release date:	2015-07-01
Identifier:	1-hydroxypropan-2-one

V8U

V8U
Name:	3-[5-[(4-ethenyl-3-methyl-5-oxidanylidene-pyrrol-2-yl)methyl]-2-[[5-[(3-ethyl-4-methyl-5-oxidanylidene-pyrrol-2-yl)methyl]-3-(3-hydroxy-3-oxopropyl)-4-methyl-1~{H}-pyrrol-2-yl]methyl]-4-methyl-1~{H}-pyrrol-3-yl]propanoic acid
Formula:	C33 H38 N4 O6
SMILES:	CCC1=C(C)C(=O)N=C1Cc2[nH]c(Cc3[nH]c(CC4=NC(=O)C(=C4C)C=C)c(C)c3CCC(O)=O)c(CCC(O)=O)c2C
InChi:	InChI=1S/C33H38N4O6/c1-7-20-19(6)32(42)37-27(20)14-25-18(5)23(10-12-31(40)41)29(35-25)15-28-22(9-11-30(38)39)17(4)24(34-28)13-26-16(3)21(8-2)33(43)36-26/h8,34-35H,2,7,9-15H2,1,3-6H3,(H,38,39)(H,40,41)
Definition date:	2023-02-27
Last modified:	2024-09-27
Release date:	2024-02-28
Identifier:	3-[5-[(4-ethenyl-3-methyl-5-oxidanylidene-pyrrol-2-yl)methyl]-2-[[5-[(3-ethyl-4-methyl-5-oxidanylidene-pyrrol-2-yl)methyl]-3-(3-hydroxy-3-oxopropyl)-4-methyl-1~{H}-pyrrol-2-yl]methyl]-4-methyl-1~{H}-pyrrol-3-yl]propanoic acid

4YG

4YG
Name:	(1R,2S,5S)-N-{(1S,2S)-1-(1,3-benzothiazol-2-yl)-1-hydroxy-3-[(3S)-2-oxopyrrolidin-3-yl]propan-2-yl}-3-[N-(methanesulfonyl)-L-valyl]-6,6-dimethyl-3-azabicyclo[3.1.0]hexane-2-carboxamide
Formula:	C28 H39 N5 O6 S2
SMILES:	CC(C)C(NS(C)(=O)=O)C(=O)N1CC2C(C1C(=O)NC(CC1CCNC1=O)C(O)c1nc3ccccc3s1)C2(C)C
InChi:	InChI=1S/C28H39N5O6S2/c1-14(2)21(32-41(5,38)39)27(37)33-13-16-20(28(16,3)4)22(33)25(36)30-18(12-15-10-11-29-24(15)35)23(34)26-31-17-8-6-7-9-19(17)40-26/h6-9,14-16,18,20-23,32,34H,10-13H2,1-5H3,(H,29,35)(H,30,36)/t15-,16-,18-,20-,21-,22-,23-/m0/s1
Definition date:	2021-07-15
Last modified:	2024-09-27
Release date:	2021-11-10
Identifier:	(1R,2S,5S)-N-{(1S,2S)-1-(1,3-benzothiazol-2-yl)-1-hydroxy-3-[(3S)-2-oxopyrrolidin-3-yl]propan-2-yl}-3-[N-(methanesulfonyl)-L-valyl]-6,6-dimethyl-3-azabicyclo[3.1.0]hexane-2-carboxamide

4YU

4YU
Name:	methyl (2E)-4-{[(5-methoxy-1,2-dimethyl-1H-indol-3-yl)carbonyl]amino}but-2-enoate
Formula:	C17 H20 N2 O4
SMILES:	O(C)c2ccc1n(c(c(C(NCC=[C@H]C(=O)OC)=O)c1c2)C)C
InChi:	InChI=1S/C17H20N2O4/c1-11-16(17(21)18-9-5-6-15(20)23-4)13-10-12(22-3)7-8-14(13)19(11)2/h5-8,10H,9H2,1-4H3,(H,18,21)
Definition date:	2015-06-26
Last modified:	2024-09-27
Release date:	2015-09-30
Identifier:	methyl (2E)-4-{[(5-methoxy-1,2-dimethyl-1H-indol-3-yl)carbonyl]amino}but-2-enoate

V9C

V9C
Name:	2-phenylethylcarbamic acid
Formula:	C9 H11 N O2
SMILES:	OC(=O)NCCc1ccccc1
InChi:	InChI=1S/C9H11NO2/c11-9(12)10-7-6-8-4-2-1-3-5-8/h1-5,10H,6-7H2,(H,11,12)
Definition date:	2017-01-09
Last modified:	2024-09-27
Release date:	2017-11-15
Identifier:	2-phenylethylcarbamic acid

V9M

V9M
Name:	(3R)-N-[(1S)-1-carboxy-2-methylpropyl]-N,3,5,5-tetramethylhexan-1-aminium
Formula:	C15 H32 N O2
SMILES:	C(C(C(C)C)[NH+](CCC(CC(C)(C)C)C)C)(O)=O
InChi:	InChI=1S/C15H31NO2/c1-11(2)13(14(17)18)16(7)9-8-12(3)10-15(4,5)6/h11-13H,8-10H2,1-7H3,(H,17,18)/p+1/t12-,13-/m0/s1
Definition date:	2020-07-21
Last modified:	2024-09-27
Release date:	2020-09-16
Identifier:	(3R)-N-[(1S)-1-carboxy-2-methylpropyl]-N,3,5,5-tetramethylhexan-1-aminium

VA1

VA1
Name:	{5-[(DIFORMYLAMINO)METHYL]-1-BENZOTHIEN-2-YL}BORONIC ACID
Formula:	C11 H10 B N O4 S
SMILES:	O=CN(C=O)Cc2cc1c(sc(c1)B(O)O)cc2
InChi:	InChI=1S/C11H10BNO4S/c14-6-13(7-15)5-8-1-2-10-9(3-8)4-11(18-10)12(16)17/h1-4,6-7,16-17H,5H2
Synonyms:	5-DIFORMYLAMINOMETHYL-BENZO[B]THIOPHEN-2-BORONIC ACID
Definition date:	2006-09-01
Last modified:	2024-09-27
Identifier:	{5-[(diformylamino)methyl]-1-benzothiophen-2-yl}boronic acid

VAD

VAD
Name:	DEAMINOHYDROXYVALINE
Formula:	C5 H10 O3
SMILES:	O=C(O)C(O)C(C)C
InChi:	InChI=1S/C5H10O3/c1-3(2)4(6)5(7)8/h3-4,6H,1-2H3,(H,7,8)/t4-/m1/s1
Definition date:	1999-07-08
Last modified:	2024-09-27
Identifier:	(2R)-2-hydroxy-3-methylbutanoic acid

VAH

VAH
Name:	(3R)-3-hydroxy-L-norvaline
Formula:	C5 H11 N O3
SMILES:	O=C(O)C(N)C(O)CC
InChi:	InChI=1S/C5H11NO3/c1-2-3(7)4(6)5(8)9/h3-4,7H,2,6H2,1H3,(H,8,9)/t3-,4+/m1/s1
Synonyms:	L-3-Hydroxynorvaline
Definition date:	2010-06-16
Last modified:	2024-09-27
Identifier:	(3R)-3-hydroxy-L-norvaline

VAI

VAI
Name:	(2S)-2-amino-3-methylbutane-1,1-diol
Formula:	C5 H13 N O2
SMILES:	OC(O)C(N)C(C)C
InChi:	InChI=1S/C5H13NO2/c1-3(2)4(6)5(7)8/h3-5,7-8H,6H2,1-2H3/t4-/m0/s1
Definition date:	2011-02-01
Last modified:	2024-09-27
Identifier:	(2S)-2-amino-3-methylbutane-1,1-diol

50A

50A
Name:	2-deoxy-2-fluoro-5-O-phosphono-alpha-D-ribofuranose
Formula:	C5 H10 F O7 P
SMILES:	FC1C(O)C(OC1O)COP(=O)(O)O
InChi:	InChI=1S/C5H10FO7P/c6-3-4(7)2(13-5(3)8)1-12-14(9,10)11/h2-5,7-8H,1H2,(H2,9,10,11)/t2-,3-,4-,5+/m1/s1
Synonyms:	Inhibitor CZ-50b arabinosyl-2-fluoro-2-deoxynicotinamide mononucleotide, bound form
Definition date:	2011-05-24
Last modified:	2024-09-27
Identifier:	2-deoxy-2-fluoro-5-O-phosphono-alpha-D-ribofuranose

VAU

VAU
Name:	(1~{R},3~{R},4~{S},5~{R})-3-methyl-1,3,4,5-tetrakis(oxidanyl)cyclohexane-1-carboxylic acid
Formula:	C8 H14 O6
SMILES:	C[C]1(O)C[C](O)(C[CH](O)[CH]1O)C(O)=O
InChi:	InChI=1S/C8H14O6/c1-7(13)3-8(14,6(11)12)2-4(9)5(7)10/h4-5,9-10,13-14H,2-3H2,1H3,(H,11,12)/t4-,5+,7-,8-/m1/s1
Definition date:	2015-03-30
Last modified:	2024-09-27
Release date:	2015-07-15
Identifier:	(1~{R},3~{R},4~{S},5~{R})-3-methyl-1,3,4,5-tetrakis(oxidanyl)cyclohexane-1-carboxylic acid

VAY

VAY
Name:	{(1R,2R,3S,4R)-4-[(5-{4-[(1S)-1-(6-bromopyridin-2-yl)-1-hydroxyethyl]thiophene-2-carbonyl}pyrimidin-4-yl)amino]-2,3-dihydroxycyclopentyl}methyl sulfamate
Formula:	C22 H24 Br N5 O7 S2
SMILES:	C1C(COS(=O)(N)=O)C(C(C1Nc2c(cncn2)C(c4cc(C(C)(c3cccc(n3)Br)O)cs4)=O)O)O
InChi:	InChI=1S/C22H24BrN5O7S2/c1-22(32,16-3-2-4-17(23)28-16)12-6-15(36-9-12)19(30)13-7-25-10-26-21(13)27-14-5-11(18(29)20(14)31)8-35-37(24,33)34/h2-4,6-7,9-11,14,18,20,29,31-32H,5,8H2,1H3,(H2,24,33,34)(H,25,26,27)/t11-,14-,18-,20+,22+/m1/s1
Definition date:	2020-07-22
Last modified:	2024-09-27
Release date:	2021-03-10
Identifier:	{(1R,2R,3S,4R)-4-[(5-{4-[(1S)-1-(6-bromopyridin-2-yl)-1-hydroxyethyl]thiophene-2-carbonyl}pyrimidin-4-yl)amino]-2,3-dihydroxycyclopentyl}methyl sulfamate

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