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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

SLR

SLR
Name:	(3R,4R)-3-hydroxy-2-[(1S)-1-hydroxy-2-methylpropyl]-4-methyl-5-oxo-D-proline
Formula:	C10 H17 N O5
SMILES:	O=C1NC(C(=O)O)(C(O)C1C)C(O)C(C)C
InChi:	InChI=1S/C10H17NO5/c1-4(2)6(12)10(9(15)16)7(13)5(3)8(14)11-10/h4-7,12-13H,1-3H3,(H,11,14)(H,15,16)/t5-,6+,7-,10-/m1/s1
Definition date:	2008-07-29
Last modified:	2024-09-27
Identifier:	(3R,4R)-3-hydroxy-2-[(1S)-1-hydroxy-2-methylpropyl]-4-methyl-5-oxo-D-proline

LAC

LAC
Name:	LACTIC ACID
Formula:	C3 H6 O3
SMILES:	O=C(O)C(O)C
InChi:	InChI=1S/C3H6O3/c1-2(4)3(5)6/h2,4H,1H3,(H,5,6)/t2-/m1/s1
Definition date:	1999-07-08
Last modified:	2024-09-27
Identifier:	(2R)-2-hydroxypropanoic acid

Q7W

Q7W
Name:	~{N}-[(3-chlorophenyl)methyl]-2-selanyl-benzamide
Formula:	C14 H12 Cl N O Se
SMILES:	Clc1cccc(CNC(=O)c2ccccc2[SeH])c1
InChi:	InChI=1S/C14H12ClNOSe/c15-11-5-3-4-10(8-11)9-16-14(17)12-6-1-2-7-13(12)18/h1-8,18H,9H2,(H,16,17)
Definition date:	2020-05-26
Last modified:	2024-09-27
Release date:	2020-09-16
Identifier:	~{N}-[(3-chlorophenyl)methyl]-2-selanyl-benzamide

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

M3V

M3V
Name:	{(4Z)-2-[(1R,2R)-1-amino-2-hydroxypropyl]-4-[(4-cyanophenyl)methylidene]-5-oxo-4,5-dihydro-1H-imidazol-1-yl}acetic acid
Formula:	C16 H16 N4 O4
SMILES:	NC(C2=NC(=[C@H]c1ccc(cc1)C#N)C(N2CC(O)=O)=O)C(O)C
InChi:	InChI=1S/C16H16N4O4/c1-9(21)14(18)15-19-12(16(24)20(15)8-13(22)23)6-10-2-4-11(7-17)5-3-10/h2-6,9,14,21H,8,18H2,1H3,(H,22,23)/b12-6-/t9-,14+/m1/s1
Definition date:	2019-03-21
Last modified:	2024-09-27
Release date:	2020-08-05
Identifier:	{(4Z)-2-[(1R,2R)-1-amino-2-hydroxypropyl]-4-[(4-cyanophenyl)methylidene]-5-oxo-4,5-dihydro-1H-imidazol-1-yl}acetic acid

TUN

TUN
Name:	ETHYL HYDROGEN DIETHYLAMIDOPHOSPHATE
Formula:	C6 H16 N O3 P
SMILES:	O=P(O)(OCC)N(CC)CC
InChi:	InChI=1S/C6H16NO3P/c1-4-7(5-2)11(8,9)10-6-3/h4-6H2,1-3H3,(H,8,9)
Definition date:	2009-05-11
Last modified:	2024-09-27
Identifier:	ethyl hydrogen diethylamidophosphate

OJK

OJK
Name:	2-(aminomethyl)-5-chloranyl-benzene-1,4-diol
Formula:	C7 H8 Cl N O2
SMILES:	NCc1cc(O)c(Cl)cc1O
InChi:	InChI=1S/C7H8ClNO2/c8-5-2-6(10)4(3-9)1-7(5)11/h1-2,10-11H,3,9H2
Definition date:	2021-03-22
Last modified:	2024-09-27
Release date:	2021-03-31
Identifier:	2-(aminomethyl)-5-chloranyl-benzene-1,4-diol

LAF

LAF
Name:	5-FLUOROLEVULINIC ACID
Formula:	C5 H7 F O3
SMILES:	FCC(=O)CCC(=O)O
InChi:	InChI=1S/C5H7FO3/c6-3-4(7)1-2-5(8)9/h1-3H2,(H,8,9)
Definition date:	2002-05-21
Last modified:	2024-09-27
Identifier:	5-fluoro-4-oxopentanoic acid

PDD

PDD
Name:	N-(5'-PHOSPHOPYRIDOXYL)-D-ALANINE
Formula:	C11 H17 N2 O7 P
SMILES:	O=C(O)C(NCc1c(cnc(c1O)C)COP(=O)(O)O)C
InChi:	InChI=1S/C11H17N2O7P/c1-6-10(14)9(4-13-7(2)11(15)16)8(3-12-6)5-20-21(17,18)19/h3,7,13-14H,4-5H2,1-2H3,(H,15,16)(H2,17,18,19)/t7-/m1/s1
Definition date:	2002-03-18
Last modified:	2024-09-27
Identifier:	N-({3-hydroxy-2-methyl-5-[(phosphonooxy)methyl]pyridin-4-yl}methyl)-D-alanine

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

MWN

MWN
Name:	methyl (3R)-5-bromo-3-hydroxy-2-oxo-2,3-dihydro-1H-indole-7-carboxylate
Formula:	C10 H8 Br N O4
SMILES:	O=C(OC)c1cc(Br)cc2c1NC(=O)C2O
InChi:	InChI=1S/C10H8BrNO4/c1-16-10(15)6-3-4(11)2-5-7(6)12-9(14)8(5)13/h2-3,8,13H,1H3,(H,12,14)/t8-/m1/s1
Definition date:	2023-08-16
Last modified:	2024-09-27
Release date:	2023-11-08
Identifier:	methyl (3R)-5-bromo-3-hydroxy-2-oxo-2,3-dihydro-1H-indole-7-carboxylate

OZT

OZT
Name:	(4S,5R)-5-methyl-2-oxo-1,3-oxazolidine-4-carboxylic acid
Formula:	C5 H7 N O4
SMILES:	C[CH]1OC(=O)N[CH]1C(O)=O
InChi:	InChI=1S/C5H7NO4/c1-2-3(4(7)8)6-5(9)10-2/h2-3H,1H3,(H,6,9)(H,7,8)/t2-,3+/m1/s1
Definition date:	2009-06-09
Last modified:	2024-09-27
Identifier:	(4S,5R)-5-methyl-2-oxo-1,3-oxazolidine-4-carboxylic acid

QM8

QM8
Name:	6-Sulfanyl-L-norleucine
Formula:	C6 H13 N O2 S
SMILES:	N[CH](CCCCS)C(O)=O
InChi:	InChI=1S/C6H13NO2S/c7-5(6(8)9)3-1-2-4-10/h5,10H,1-4,7H2,(H,8,9)/t5-/m0/s1
Synonyms:	(2S)-2-azanyl-6-sulfanyl-hexanoic acid
Definition date:	2020-06-30
Last modified:	2024-09-27
Release date:	2022-01-26
Identifier:	(2~{S})-2-azanyl-6-sulfanyl-hexanoic acid

PDF

PDF
Name:	4,4-difluoro-L-proline
Formula:	C5 H7 F2 N O2
SMILES:	O=C(O)C1NCC(F)(F)C1
InChi:	InChI=1S/C5H7F2NO2/c6-5(7)1-3(4(9)10)8-2-5/h3,8H,1-2H2,(H,9,10)/t3-/m0/s1
Definition date:	2008-10-07
Last modified:	2024-09-27
Release date:	2015-06-17
Identifier:	4,4-difluoro-L-proline

OZU

OZU
Name:	~{N}-pyridin-3-ylpropanamide
Formula:	C8 H10 N2 O
SMILES:	CCC(=O)Nc1cccnc1
InChi:	InChI=1S/C8H10N2O/c1-2-8(11)10-7-4-3-5-9-6-7/h3-6H,2H2,1H3,(H,10,11)
Definition date:	2022-09-28
Last modified:	2024-09-27
Release date:	2022-10-05
Identifier:	~{N}-pyridin-3-ylpropanamide

RE0

RE0
Name:	3-[(3R)-3-hydroxy-2-oxo-2,3-dihydro-1H-indol-3-yl]-L-alanine
Formula:	C11 H12 N2 O4
SMILES:	O=C(O)C(N)CC2(O)c1ccccc1NC2=O
InChi:	InChI=1S/C11H12N2O4/c12-7(9(14)15)5-11(17)6-3-1-2-4-8(6)13-10(11)16/h1-4,7,17H,5,12H2,(H,13,16)(H,14,15)/t7-,11+/m0/s1
Definition date:	2011-02-03
Last modified:	2024-09-27
Identifier:	3-[(3R)-3-hydroxy-2-oxo-2,3-dihydro-1H-indol-3-yl]-L-alanine

RE1

RE1
Name:	GLYCYL-L-A-AMINOPIMELYL-E-(D-2-AMINOETHYL)PHOSPHONATE
Formula:	C11 H21 N3 O7 P
SMILES:	[O-]P(=O)(O)C(NC(=O)CCCCC(C([O-])=O)NC(=O)C[NH3+])C
InChi:	InChI=1S/C11H22N3O7P/c1-7(22(19,20)21)13-9(15)5-3-2-4-8(11(17)18)14-10(16)6-12/h7-8H,2-6,12H2,1H3,(H,13,15)(H,14,16)(H,17,18)(H2,19,20,21)/p-1/t7-,8-/m0/s1
Definition date:	2002-10-15
Last modified:	2024-09-27
Identifier:	(2S)-2-[(ammonioacetyl)amino]-7-{[(1S)-1-(hydroxyphosphinato)ethyl]amino}-7-oxoheptanoate

OJO

OJO
Name:	1-{4-[(3-chloro-5-hydroxyphenyl)methyl]piperazin-1-yl}ethan-1-one
Formula:	C13 H17 Cl N2 O2
SMILES:	CC(=O)N1CCN(Cc2cc(Cl)cc(O)c2)CC1
InChi:	InChI=1S/C13H17ClN2O2/c1-10(17)16-4-2-15(3-5-16)9-11-6-12(14)8-13(18)7-11/h6-8,18H,2-5,9H2,1H3
Definition date:	2023-08-17
Last modified:	2024-09-27
Release date:	2023-11-08
Identifier:	1-{4-[(3-chloro-5-hydroxyphenyl)methyl]piperazin-1-yl}ethan-1-one

Q81

Q81
Name:	1,3-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:	N(C1=C(C(=O)NC(=O)N1)N=[C@H]C(C)=O)CC(O)CC(O)CO
InChi:	InChI=1S/C12H18N4O6/c1-6(18)3-13-9-10(15-12(22)16-11(9)21)14-4-7(19)2-8(20)5-17/h3,7-8,17,19-20H,2,4-5H2,1H3,(H3,14,15,16,21,22)/b13-3+/t7-,8+/m1/s1
Definition date:	2019-10-02
Last modified:	2024-09-27
Release date:	2020-02-19
Identifier:	1,3-dideoxy-1-({2,6-dioxo-5-[(E)-(2-oxopropylidene)amino]-1,2,3,6-tetrahydropyrimidin-4-yl}amino)-D-erythro-pentitol

M40

M40
Name:	(1R,2S)-2-({N-[(benzyloxy)carbonyl]-3-cyclohexyl-L-alanyl}amino)-1-hydroxy-3-[(3S)-2-oxopyrrolidin-3-yl]propane-1-sulfonic acid
Formula:	C24 H35 N3 O8 S
SMILES:	O=C(OCc1ccccc1)NC(C(=O)NC(CC2C(=O)NCC2)C(O)S(=O)(=O)O)CC3CCCCC3
InChi:	InChI=1S/C24H35N3O8S/c28-21-18(11-12-25-21)14-20(23(30)36(32,33)34)26-22(29)19(13-16-7-3-1-4-8-16)27-24(31)35-15-17-9-5-2-6-10-17/h2,5-6,9-10,16,18-20,23,30H,1,3-4,7-8,11-15H2,(H,25,28)(H,26,29)(H,27,31)(H,32,33,34)/t18-,19?,20?,23?/m0/s1
Definition date:	2014-12-18
Last modified:	2024-09-27
Release date:	2015-03-25
Identifier:	(1R,2S)-2-({N-[(benzyloxy)carbonyl]-3-cyclohexyl-L-alanyl}amino)-1-hydroxy-3-[(3S)-2-oxopyrrolidin-3-yl]propane-1-sulfonic acid

OZW

OZW
Name:	phenylhydrazinyl phenylalanine
Formula:	C15 H17 N3 O2
SMILES:	N[CH](Cc1ccc(NNc2ccccc2)cc1)C(O)=O
InChi:	InChI=1S/C15H17N3O2/c16-14(15(19)20)10-11-6-8-13(9-7-11)18-17-12-4-2-1-3-5-12/h1-9,14,17-18H,10,16H2,(H,19,20)/t14-/m0/s1
Definition date:	2020-04-13
Last modified:	2024-09-27
Release date:	2020-07-22
Identifier:	(2~{S})-2-azanyl-3-[4-(2-phenylhydrazinyl)phenyl]propanoic acid

SLZ

SLZ
Name:	L-THIALYSINE
Formula:	C5 H12 N2 O2 S
SMILES:	O=C(O)C(N)CSCCN
InChi:	InChI=1S/C5H12N2O2S/c6-1-2-10-3-4(7)5(8)9/h4H,1-3,6-7H2,(H,8,9)/t4-/m0/s1
Definition date:	1999-07-08
Last modified:	2024-09-27
Identifier:	S-(2-aminoethyl)-L-cysteine

RE3

RE3
Name:	3-[(3S)-3-hydroxy-2-oxo-2,3-dihydro-1H-indol-3-yl]-L-alanine
Formula:	C11 H12 N2 O4
SMILES:	O=C(O)C(N)CC2(O)c1ccccc1NC2=O
InChi:	InChI=1S/C11H12N2O4/c12-7(9(14)15)5-11(17)6-3-1-2-4-8(6)13-10(11)16/h1-4,7,17H,5,12H2,(H,13,16)(H,14,15)/t7-,11-/m0/s1
Definition date:	2011-02-03
Last modified:	2024-09-27
Identifier:	3-[(3S)-3-hydroxy-2-oxo-2,3-dihydro-1H-indol-3-yl]-L-alanine

QMB

QMB
Name:	5-Mercapto-norvaline
Formula:	C5 H11 N O2 S
SMILES:	N[CH](CCCS)C(O)=O
InChi:	InChI=1S/C5H11NO2S/c6-4(5(7)8)2-1-3-9/h4,9H,1-3,6H2,(H,7,8)/t4-/m0/s1
Synonyms:	(2S)-2-azanyl-5-sulfanyl-pentanoic acid
Definition date:	2020-06-30
Last modified:	2024-09-27
Release date:	2022-01-26
Identifier:	(2~{S})-2-azanyl-5-sulfanyl-pentanoic acid

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