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MHE

MHE
Name:	5,5-dimethyl-2-oxohexanoic acid
Formula:	C8 H14 O3
SMILES:	O=C(C(=O)O)CCC(C)(C)C
InChi:	InChI=1S/C8H14O3/c1-8(2,3)5-4-6(9)7(10)11/h4-5H2,1-3H3,(H,10,11)
Definition date:	2008-06-02
Last modified:	2024-09-27
Identifier:	5,5-dimethyl-2-oxohexanoic acid

MHH

MHH
Name:	methyl hydrogen (R)-hexylphosphonate
Formula:	C7 H17 O3 P
SMILES:	O=P(O)(OC)CCCCCC
InChi:	InChI=1S/C7H17O3P/c1-3-4-5-6-7-11(8,9)10-2/h3-7H2,1-2H3,(H,8,9)
Definition date:	2008-01-28
Last modified:	2024-09-27
Identifier:	methyl hydrogen (R)-hexylphosphonate

1WZ

1WZ
Name:	3-(dimethylamino)-5-[(E)-2-(4-hydroxy-3,5-dimethylphenyl)ethenyl]benzoic acid
Formula:	C19 H21 N O3
SMILES:	O=C(O)c1cc(cc(N(C)C)c1)C=Cc2cc(c(O)c(c2)C)C
InChi:	InChI=1S/C19H21NO3/c1-12-7-14(8-13(2)18(12)21)5-6-15-9-16(19(22)23)11-17(10-15)20(3)4/h5-11,21H,1-4H3,(H,22,23)/b6-5+
Synonyms:	(E)-3-(dimethylamino)-5-(4-hydroxy-3,5-dimethylstyryl)benzoic acid
Definition date:	2013-07-19
Last modified:	2024-09-27
Release date:	2013-10-02
Identifier:	3-(dimethylamino)-5-[(E)-2-(4-hydroxy-3,5-dimethylphenyl)ethenyl]benzoic acid

MHL

MHL
Name:	N-METHYL-4-HYDROXY-LEUCINE
Formula:	C7 H15 N O3
SMILES:	O=C(O)C(NC)CC(O)(C)C
InChi:	InChI=1S/C7H15NO3/c1-7(2,11)4-5(8-3)6(9)10/h5,8,11H,4H2,1-3H3,(H,9,10)/t5-/m0/s1
Definition date:	1999-07-08
Last modified:	2024-09-27
Identifier:	4-hydroxy-N-methyl-L-leucine

MHO

MHO
Name:	S-OXYMETHIONINE
Formula:	C5 H11 N O3 S
SMILES:	O=C(O)C(N)CCS(=O)C
InChi:	InChI=1S/C5H11NO3S/c1-10(9)3-2-4(6)5(7)8/h4H,2-3,6H2,1H3,(H,7,8)/t4-,10-/m0/s1
Definition date:	1999-07-08
Last modified:	2024-09-27
Identifier:	(2S)-2-amino-4-[(S)-methylsulfinyl]butanoic acid

MHS

MHS
Name:	N1-METHYLATED HISTIDINE
Formula:	C7 H11 N3 O2
SMILES:	O=C(O)C(N)Cc1cncn1C
InChi:	InChI=1S/C7H11N3O2/c1-10-4-9-3-5(10)2-6(8)7(11)12/h3-4,6H,2,8H2,1H3,(H,11,12)/t6-/m0/s1
Definition date:	1999-07-08
Last modified:	2024-09-27
Identifier:	3-methyl-L-histidine

1X6

1X6
Name:	O-[(2E)-3-AMINOPROP-2-ENOYL]-L-SERINE
Formula:	C6 H10 N2 O4
SMILES:	O=C(OCC(C(=O)O)N)C=CN
InChi:	InChI=1S/C6H10N2O4/c7-2-1-5(9)12-3-4(8)6(10)11/h1-2,4H,3,7-8H2,(H,10,11)/b2-1+/t4-/m0/s1
Definition date:	2011-06-23
Last modified:	2024-09-27
Identifier:	O-[(2E)-3-aminoprop-2-enoyl]-L-serine

MHT

MHT
Name:	(3S)-3-(methylsulfanyl)-1-azabicyclo[2.2.2]octane
Formula:	C8 H15 N S
SMILES:	S(C2C1CCN(CC1)C2)C
InChi:	InChI=1S/C8H15NS/c1-10-8-6-9-4-2-7(8)3-5-9/h7-8H,2-6H2,1H3/t8-/m1/s1
Definition date:	2010-07-15
Last modified:	2024-09-27
Identifier:	(3S)-3-(methylsulfanyl)-1-azabicyclo[2.2.2]octane

MHU

MHU
Name:	4-N,N-(DIMETHYLAMINO)-L-PHENYLALANINE
Formula:	C12 H18 N2 O2
SMILES:	O=C(O)C(NC)Cc1ccc(N(C)C)cc1
InChi:	InChI=1S/C12H18N2O2/c1-13-11(12(15)16)8-9-4-6-10(7-5-9)14(2)3/h4-7,11,13H,8H2,1-3H3,(H,15,16)/t11-/m0/s1
Definition date:	2010-07-15
Last modified:	2024-09-27
Identifier:	4-(dimethylamino)-N-methyl-L-phenylalanine

MHV

MHV
Name:	4-OXO-L-PIPECOLIC ACID
Formula:	C6 H9 N O3
SMILES:	O=C(O)C1NCCC(=O)C1
InChi:	InChI=1S/C6H9NO3/c8-4-1-2-7-5(3-4)6(9)10/h5,7H,1-3H2,(H,9,10)/t5-/m0/s1
Definition date:	2010-07-15
Last modified:	2024-09-27
Identifier:	(2S)-4-oxopiperidine-2-carboxylic acid

MHW

MHW
Name:	3-HYDROXYPICOLINIC ACID
Formula:	C6 H5 N O3
SMILES:	O=C(O)c1ncccc1O
InChi:	InChI=1S/C6H5NO3/c8-4-2-1-3-7-5(4)6(9)10/h1-3,8H,(H,9,10)
Definition date:	2010-07-15
Last modified:	2024-09-27
Identifier:	3-hydroxypyridine-2-carboxylic acid

MHY

MHY
Name:	{(4Z)-2-[(1R,2R)-1-amino-2-hydroxypropyl]-4-[(3,5-difluoro-4-hydroxyphenyl)methylidene]-5-oxo-4,5-dihydro-1H-imidazol-1-yl}acetic acid
Formula:	C15 H15 F2 N3 O5
SMILES:	NC(C1=N/C(C(N1CC(O)=O)=O)=Cc2cc(F)c(c(c2)F)O)C(O)C
InChi:	InChI=1S/C15H15F2N3O5/c1-6(21)12(18)14-19-10(15(25)20(14)5-11(22)23)4-7-2-8(16)13(24)9(17)3-7/h2-4,6,12,21,24H,5,18H2,1H3,(H,22,23)/b10-4-/t6-,12+/m1/s1
Definition date:	2019-04-02
Last modified:	2024-09-27
Release date:	2020-04-08
Identifier:	{(4Z)-2-[(1R,2R)-1-amino-2-hydroxypropyl]-4-[(3,5-difluoro-4-hydroxyphenyl)methylidene]-5-oxo-4,5-dihydro-1H-imidazol-1-yl}acetic acid

MHZ

MHZ
Name:	5'-DEOXY-5'-[(3-HYDRAZINOPROPYL)METHYLAMINO]ADENOSINE
Formula:	C14 H24 N8 O3
SMILES:	n2c1c(ncnc1n(c2)C3OC(C(O)C3O)CN(CCCNN)C)N
InChi:	InChI=1S/C14H24N8O3/c1-21(4-2-3-20-16)5-8-10(23)11(24)14(25-8)22-7-19-9-12(15)17-6-18-13(9)22/h6-8,10-11,14,20,23-24H,2-5,16H2,1H3,(H2,15,17,18)/t8-,10-,11-,14-/m1/s1
Definition date:	2001-03-13
Last modified:	2024-09-27
Identifier:	5'-deoxy-5'-[(3-hydrazinopropyl)(methyl)amino]adenosine

1XE

1XE
Name:	[5-(6-amino-9H-purin-9-yl)-4-hydroxy-3-(phosphonooxy)furan-2-yl]methyl (3R)-4-{[3-({(E)-2-[(2,2-dihydroxyethyl)sulfanyl]ethenyl}amino)-3-oxopropyl]amino}-3-hydroxy-2,2-dimethyl-4-oxobutyl dihydrogen diphosphate
Formula:	C23 H34 N7 O18 P3 S
SMILES:	O=C(NC=CSCC(O)O)CCNC(=O)C(O)C(C)(C)COP(=O)(O)OP(=O)(O)OCc3oc(n2cnc1c(ncnc12)N)c(O)c3OP(=O)(O)O
InChi:	InChI=1S/C23H34N7O18P3S/c1-23(2,18(35)21(36)26-4-3-13(31)25-5-6-52-8-14(32)33)9-45-51(42,43)48-50(40,41)44-7-12-17(47-49(37,38)39)16(34)22(46-12)30-11-29-15-19(24)27-10-28-20(15)30/h5-6,10-11,14,18,32-35H,3-4,7-9H2,1-2H3,(H,25,31)(H,26,36)(H,40,41)(H,42,43)(H2,24,27,28)(H2,37,38,39)/b6-5+/t18-/m0/s1
Definition date:	2013-07-25
Last modified:	2024-09-27
Release date:	2013-07-31
Identifier:	[5-(6-amino-9H-purin-9-yl)-4-hydroxy-3-(phosphonooxy)furan-2-yl]methyl (3R)-4-{[3-({(E)-2-[(2,2-dihydroxyethyl)sulfanyl]ethenyl}amino)-3-oxopropyl]amino}-3-hydroxy-2,2-dimethyl-4-oxobutyl dihydrogen diphosphate

1XG

1XG
Name:	(3R,7E,10E)-3-hydroxy-4-oxododeca-7,10-dienamide
Formula:	C12 H19 N O3
SMILES:	O=C(CC/C=C/C/C=C/C)C(O)CC(=O)N
InChi:	InChI=1S/C12H19NO3/c1-2-3-4-5-6-7-8-10(14)11(15)9-12(13)16/h2-3,5-6,11,15H,4,7-9H2,1H3,(H2,13,16)/b3-2+,6-5+/t11-/m1/s1
Definition date:	2013-07-26
Last modified:	2024-09-27
Release date:	2014-04-02
Identifier:	(3R,7E,10E)-3-hydroxy-4-oxododeca-7,10-dienamide

MIE

MIE
Name:	methylglyoxal
Formula:	C3 H4 O2
SMILES:	O=CC(C)=O
InChi:	InChI=1S/C3H4O2/c1-3(5)2-4/h2H,1H3
Definition date:	2022-03-16
Last modified:	2024-09-27
Release date:	2022-08-24
Identifier:	2-oxopropanal

MIJ

MIJ
Name:	(2~{R},3~{S})-3-[[(2~{S})-3-cyclopropyl-2-[2-oxidanylidene-3-(2-phenylethanoylamino)pyridin-1-yl]propanoyl]amino]-~{N}-methyl-2-oxidanyl-4-[(3~{S})-2-oxidanylidenepyrrolidin-3-yl]butanamide
Formula:	C28 H35 N5 O6
SMILES:	CNC(=O)[CH](O)[CH](C[CH]1CCNC1=O)NC(=O)[CH](CC2CC2)N3C=CC=C(NC(=O)Cc4ccccc4)C3=O
InChi:	InChI=1S/C28H35N5O6/c1-29-27(38)24(35)21(16-19-11-12-30-25(19)36)32-26(37)22(14-18-9-10-18)33-13-5-8-20(28(33)39)31-23(34)15-17-6-3-2-4-7-17/h2-8,13,18-19,21-22,24,35H,9-12,14-16H2,1H3,(H,29,38)(H,30,36)(H,31,34)(H,32,37)/t19-,21-,22-,24+/m0/s1
Definition date:	2022-07-27
Last modified:	2024-09-27
Release date:	2023-08-16
Identifier:	(2~{R},3~{S})-3-[[(2~{S})-3-cyclopropyl-2-[2-oxidanylidene-3-(2-phenylethanoylamino)pyridin-1-yl]propanoyl]amino]-~{N}-methyl-2-oxidanyl-4-[(3~{S})-2-oxidanylidenepyrrolidin-3-yl]butanamide

1XY

1XY
Name:	(4R)-3,4-dihydro-2H-chromen-4-amine
Formula:	C9 H11 N O
SMILES:	O2c1ccccc1C(N)CC2
InChi:	InChI=1S/C9H11NO/c10-8-5-6-11-9-4-2-1-3-7(8)9/h1-4,8H,5-6,10H2/t8-/m1/s1
Definition date:	2013-07-30
Last modified:	2024-09-27
Release date:	2013-08-07
Identifier:	(4R)-3,4-dihydro-2H-chromen-4-amine

1XZ

1XZ
Name:	3-(2~{H}-indazol-3-yl)-~{N}-[[1-[(1~{R},2~{R})-2-methoxycyclohexyl]-1,2,3-triazol-4-yl]methyl]-5-(propanoylamino)benzamide
Formula:	C27 H31 N7 O3
SMILES:	CCC(=O)Nc1cc(cc(c1)c2[nH]nc3ccccc23)C(=O)NCc4cn(nn4)[CH]5CCCC[CH]5OC
InChi:	InChI=1S/C27H31N7O3/c1-3-25(35)29-19-13-17(26-21-8-4-5-9-22(21)31-32-26)12-18(14-19)27(36)28-15-20-16-34(33-30-20)23-10-6-7-11-24(23)37-2/h4-5,8-9,12-14,16,23-24H,3,6-7,10-11,15H2,1-2H3,(H,28,36)(H,29,35)(H,31,32)/t23-,24-/m1/s1
Definition date:	2021-06-15
Last modified:	2024-09-27
Release date:	2022-07-20
Identifier:	3-(2~{H}-indazol-3-yl)-~{N}-[[1-[(1~{R},2~{R})-2-methoxycyclohexyl]-1,2,3-triazol-4-yl]methyl]-5-(propanoylamino)benzamide

MIR

MIR
Name:	Monoethylphosphorylserine
Formula:	C5 H12 N O6 P
SMILES:	O=P(OCC)(OCC(N)C(=O)O)O
InChi:	InChI=1S/C5H12NO6P/c1-2-11-13(9,10)12-3-4(6)5(7)8/h4H,2-3,6H2,1H3,(H,7,8)(H,9,10)/t4-/m0/s1
Synonyms:	O-[(S)-ethoxy(hydroxy)phosphoryl]-L-serine
Definition date:	2009-06-04
Last modified:	2024-09-27
Identifier:	O-[(S)-ethoxy(hydroxy)phosphoryl]-L-serine

MIS

MIS
Name:	MONOISOPROPYLPHOSPHORYLSERINE
Formula:	C6 H14 N O6 P
SMILES:	O=P(OCC(N)C(=O)O)(OC(C)C)O
InChi:	InChI=1S/C6H14NO6P/c1-4(2)13-14(10,11)12-3-5(7)6(8)9/h4-5H,3,7H2,1-2H3,(H,8,9)(H,10,11)/t5-/m0/s1
Definition date:	1999-07-08
Last modified:	2024-09-27
Identifier:	O-[(R)-hydroxy(1-methylethoxy)phosphoryl]-L-serine

1Y6

1Y6
Name:	4-fluorobenzoic acid
Formula:	C7 H5 F O2
SMILES:	Fc1ccc(C(=O)O)cc1
InChi:	InChI=1S/C7H5FO2/c8-6-3-1-5(2-4-6)7(9)10/h1-4H,(H,9,10)
Definition date:	2013-07-31
Last modified:	2024-09-27
Release date:	2014-12-31
Identifier:	4-fluorobenzoic acid

1Y9

1Y9
Name:	vibralactone, bound form
Formula:	C12 H18 O3
SMILES:	O=CC1(C=C(CC1O)CO)CC=C(/C)C
InChi:	InChI=1S/C12H18O3/c1-9(2)3-4-12(8-14)6-10(7-13)5-11(12)15/h3,6,8,11,13,15H,4-5,7H2,1-2H3/t11-,12-/m0/s1
Synonyms:	(1R,5S)-5-hydroxy-3-(hydroxymethyl)-1-(3-methylbut-2-en-1-yl)cyclopent-2-ene-1-carbaldehyde
Definition date:	2013-08-01
Last modified:	2024-09-27
Release date:	2013-12-25
Identifier:	(1R,5S)-5-hydroxy-3-(hydroxymethyl)-1-(3-methylbut-2-en-1-yl)cyclopent-2-ene-1-carbaldehyde

MJ0

MJ0
Name:	(2R,3S)-3-[[(2S)-3-cyclopropyl-2-[2-oxidanylidene-3-(3-phenylpropanoylamino)pyridin-1-yl]propanoyl]amino]-N-methyl-2-oxidanyl-4-[(3S)-2-oxidanylidenepyrrolidin-3-yl]butanamide
Formula:	C29 H37 N5 O6
SMILES:	CNC(=O)[CH](O)[CH](C[CH]1CCNC1=O)NC(=O)[CH](CC2CC2)N3C=CC=C(NC(=O)CCc4ccccc4)C3=O
InChi:	InChI=1S/C29H37N5O6/c1-30-28(39)25(36)22(17-20-13-14-31-26(20)37)33-27(38)23(16-19-9-10-19)34-15-5-8-21(29(34)40)32-24(35)12-11-18-6-3-2-4-7-18/h2-8,15,19-20,22-23,25,36H,9-14,16-17H2,1H3,(H,30,39)(H,31,37)(H,32,35)(H,33,38)/t20-,22-,23-,25+/m0/s1
Synonyms:	(S)-3-((S)-3-cyclopropyl-2-(2-oxo-3-(3-phenylpropanamido)pyridin-1(2H)-yl)propanamido)-N-methyl-2-oxo-4-((S)-2-oxopyrrolidin-3-yl)butanamide
Definition date:	2022-07-27
Last modified:	2024-09-27
Release date:	2023-08-16
Identifier:	(2~{R},3~{S})-3-[[(2~{S})-3-cyclopropyl-2-[2-oxidanylidene-3-(3-phenylpropanoylamino)pyridin-1-yl]propanoyl]amino]-~{N}-methyl-2-oxidanyl-4-[(3~{S})-2-oxidanylidenepyrrolidin-3-yl]butanamide

MJ1

MJ1
Name:	{(4Z)-2-[(1R,2R)-1-amino-2-hydroxypropyl]-4-[(2,3-difluoro-4-hydroxyphenyl)methylidene]-5-oxo-4,5-dihydro-1H-imidazol-1-yl}acetic acid
Formula:	C15 H15 F2 N3 O5
SMILES:	C1(=NC(C(N1CC(O)=O)=O)=[C@H]c2c(c(F)c(cc2)O)F)C(C(O)C)N
InChi:	InChI=1S/C15H15F2N3O5/c1-6(21)13(18)14-19-8(15(25)20(14)5-10(23)24)4-7-2-3-9(22)12(17)11(7)16/h2-4,6,13,21-22H,5,18H2,1H3,(H,23,24)/b8-4-/t6-,13+/m1/s1
Definition date:	2019-04-02
Last modified:	2024-09-27
Release date:	2020-04-08
Identifier:	{(4Z)-2-[(1R,2R)-1-amino-2-hydroxypropyl]-4-[(2,3-difluoro-4-hydroxyphenyl)methylidene]-5-oxo-4,5-dihydro-1H-imidazol-1-yl}acetic acid

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