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1VL

1VL
Name:	(3S)-1-{[4-(1,3-benzodioxol-5-ylmethyl)piperazin-1-yl]methyl}-3-hydroxy-1,3-dihydro-2H-indol-2-one
Formula:	C21 H23 N3 O4
SMILES:	O=C2N(c1ccccc1C2O)CN3CCN(CC3)Cc4ccc5OCOc5c4
InChi:	InChI=1S/C21H23N3O4/c25-20-16-3-1-2-4-17(16)24(21(20)26)13-23-9-7-22(8-10-23)12-15-5-6-18-19(11-15)28-14-27-18/h1-6,11,20,25H,7-10,12-14H2/t20-/m0/s1
Definition date:	2013-06-20
Last modified:	2024-09-27
Release date:	2014-04-16
Identifier:	(3S)-1-{[4-(1,3-benzodioxol-5-ylmethyl)piperazin-1-yl]methyl}-3-hydroxy-1,3-dihydro-2H-indol-2-one

1VR

1VR
Name:	(3R)-3-amino-4-methylpentanoic acid
Formula:	C6 H13 N O2
SMILES:	O=C(O)CC(N)C(C)C
InChi:	InChI=1S/C6H13NO2/c1-4(2)5(7)3-6(8)9/h4-5H,3,7H2,1-2H3,(H,8,9)/t5-/m1/s1
Synonyms:	beta-3-homovaline
Definition date:	2013-06-21
Last modified:	2024-09-27
Release date:	2013-09-04
Identifier:	(3R)-3-amino-4-methylpentanoic acid

1W4

1W4
Name:	S-(4-fluorophenyl) 3-(dimethylamino)-5-[(E)-2-(4-hydroxy-3,5-dimethylphenyl)ethenyl]benzenecarbothioate
Formula:	C25 H24 F N O2 S
SMILES:	O=C(Sc1ccc(F)cc1)c3cc(C=Cc2cc(c(O)c(c2)C)C)cc(N(C)C)c3
InChi:	InChI=1S/C25H24FNO2S/c1-16-11-18(12-17(2)24(16)28)5-6-19-13-20(15-22(14-19)27(3)4)25(29)30-23-9-7-21(26)8-10-23/h5-15,28H,1-4H3/b6-5+
Definition date:	2013-06-27
Last modified:	2024-09-27
Release date:	2013-10-02
Identifier:	S-(4-fluorophenyl) 3-(dimethylamino)-5-[(E)-2-(4-hydroxy-3,5-dimethylphenyl)ethenyl]benzenecarbothioate

OAX

OAX
Name:	4-chloranyl-N-[[cyclopropylmethyl(methanoyl)amino]methyl]benzamide
Formula:	C13 H15 Cl N2 O2
SMILES:	Clc1ccc(cc1)C(=O)NCN(CC2CC2)C=O
InChi:	InChI=1S/C13H15ClN2O2/c14-12-5-3-11(4-6-12)13(18)15-8-16(9-17)7-10-1-2-10/h3-6,9-10H,1-2,7-8H2,(H,15,18)
Definition date:	2019-09-11
Last modified:	2024-09-27
Release date:	2020-09-09
Identifier:	4-chloranyl-~{N}-[[cyclopropylmethyl(methanoyl)amino]methyl]benzamide

OAZ

OAZ
Name:	(2-azidophenyl)methyl hydrogen carbonate
Formula:	C8 H7 N3 O2
SMILES:	C(=O)(O)OCc1c(cccc1)N=[N+]=[N-]
InChi:	InChI=1S/C8H7N3O3/c9-11-10-7-4-2-1-3-6(7)5-14-8(12)13/h1-4H,5H2,(H,12,13)
Definition date:	2017-05-10
Last modified:	2024-09-27
Release date:	2017-12-20
Identifier:	(2-azidophenyl)methyl hydrogen carbonate

1WD

1WD
Name:	3-sulfanylpyridine-2-carboxylic acid
Formula:	C6 H5 N O2 S
SMILES:	O=C(O)c1ncccc1S
InChi:	InChI=1S/C6H5NO2S/c8-6(9)5-4(10)2-1-3-7-5/h1-3,10H,(H,8,9)
Definition date:	2013-07-03
Last modified:	2024-09-27
Release date:	2015-09-23
Identifier:	3-sulfanylpyridine-2-carboxylic acid

OBJ

OBJ
Name:	2-(3,4-dichlorophenoxy)-N-(2-sulfanylethyl)acetamide
Formula:	C10 H11 Cl2 N O2 S
SMILES:	C(CNC(=O)COc1cc(c(cc1)Cl)Cl)S
InChi:	InChI=1S/C10H11Cl2NO2S/c11-8-2-1-7(5-9(8)12)15-6-10(14)13-3-4-16/h1-2,5,16H,3-4,6H2,(H,13,14)
Definition date:	2019-06-20
Last modified:	2024-09-27
Release date:	2024-01-17
Identifier:	2-(3,4-dichlorophenoxy)-N-(2-sulfanylethyl)acetamide

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

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

OC0

OC0
Name:	[(1~{R})-1-[2-[(5-azanyl-1,3,4-thiadiazol-2-yl)sulfanyl]ethanoylamino]-2-(4-carboxy-1,2,3-triazol-1-yl)ethyl]-$l^{3}-oxidanyl-bis(oxidanyl)boron
Formula:	C9 H13 B N7 O6 S2
SMILES:	O=C(CSc1nnc(N)s1)NC(Cn1cc(nn1)C(=O)O)[B-](O)(O)O
InChi:	InChI=1S/C9H13BN7O6S2/c11-8-14-15-9(25-8)24-3-6(18)12-5(10(21,22)23)2-17-1-4(7(19)20)13-16-17/h1,5,21-23H,2-3H2,(H2,11,14)(H,12,18)(H,19,20)/q-1/t5-/m0/s1
Definition date:	2022-04-27
Last modified:	2024-09-27
Release date:	2022-12-14
Identifier:	[(1R)-1-{2-[(5-amino-1,3,4-thiadiazol-2-yl)sulfanyl]acetamido}-2-(4-carboxy-1H-1,2,3-triazol-1-yl)ethyl](trihydroxido)borate(1-)

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

OCD

OCD
Name:	octadecanal
Formula:	C18 H36 O
SMILES:	C(CCCCCCCCCCCCCCCCC)=O
InChi:	InChI=1S/C18H36O/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19/h18H,2-17H2,1H3
Definition date:	2016-07-29
Last modified:	2024-09-27
Release date:	2017-03-15
Identifier:	octadecanal

OCE

OCE
Name:	octanedioic acid
Formula:	C8 H14 O4
SMILES:	O=C(O)CCCCCCC(=O)O
InChi:	InChI=1S/C8H14O4/c9-7(10)5-3-1-2-4-6-8(11)12/h1-6H2,(H,9,10)(H,11,12)
Definition date:	2010-05-26
Last modified:	2024-09-27
Identifier:	octanedioic acid

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

OCR

OCR
Name:	(5E,8E,11Z,13E)-15-oxoicosa-5,8,11,13-tetraenoic acid
Formula:	C20 H30 O3
SMILES:	O=C(C=CC=C/C/C=C/C/C=C/CCCC(=O)O)CCCCC
InChi:	InChI=1S/C20H30O3/c1-2-3-13-16-19(21)17-14-11-9-7-5-4-6-8-10-12-15-18-20(22)23/h4-5,8-11,14,17H,2-3,6-7,12-13,15-16,18H2,1H3,(H,22,23)/b5-4+,10-8+,11-9-,17-14+
Synonyms:	15-oxo-eicosatetraenoic acid
Definition date:	2008-03-17
Last modified:	2024-09-27
Identifier:	(5E,8E,11Z,13E)-15-oxoicosa-5,8,11,13-tetraenoic acid

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

OCX

OCX
Name:	(5E,11E,14E)-8-oxoicosa-5,9,11,14-tetraenoic acid
Formula:	C20 H30 O3
SMILES:	O=C(C=CC=CC/C=C/CCCCC)C/C=C/CCCC(=O)O
InChi:	InChI=1S/C20H30O3/c1-2-3-4-5-6-7-8-9-10-13-16-19(21)17-14-11-12-15-18-20(22)23/h6-7,9-11,13-14,16H,2-5,8,12,15,17-18H2,1H3,(H,22,23)/b7-6+,10-9+,14-11+,16-13?
Synonyms:	8-oxo-eicosatetraenoic acid
Definition date:	2008-03-17
Last modified:	2024-09-27
Identifier:	(5E,9E,11E,14E)-8-oxoicosa-5,9,11,14-tetraenoic acid

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

A3O

A3O
Name:	methyl (1R,3R)-1-methyl-3-[[3-[[3-methyl-4-[(4-pyridin-3-ylpyrimidin-2-yl)amino]phenyl]carbamoyl]phenyl]methylcarbamoyl]-4-oxidanylidene-cyclohexane-1-carboxylate
Formula:	C34 H34 N6 O5
SMILES:	COC(=O)[C]1(C)CCC(=O)[CH](C1)C(=O)NCc2cccc(c2)C(=O)Nc3ccc(Nc4nccc(n4)c5cccnc5)c(C)c3
InChi:	InChI=1S/C34H34N6O5/c1-21-16-25(9-10-27(21)39-33-36-15-12-28(40-33)24-8-5-14-35-20-24)38-30(42)23-7-4-6-22(17-23)19-37-31(43)26-18-34(2,32(44)45-3)13-11-29(26)41/h4-10,12,14-17,20,26H,11,13,18-19H2,1-3H3,(H,37,43)(H,38,42)(H,36,39,40)/t26-,34-/m1/s1
Definition date:	2023-07-17
Last modified:	2024-09-27
Release date:	2024-07-24
Identifier:	methyl (1~{R},3~{R})-1-methyl-3-[[3-[[3-methyl-4-[(4-pyridin-3-ylpyrimidin-2-yl)amino]phenyl]carbamoyl]phenyl]methylcarbamoyl]-4-oxidanylidene-cyclohexane-1-carboxylate

A3P

A3P
Name:	ADENOSINE-3'-5'-DIPHOSPHATE
Formula:	C10 H15 N5 O10 P2
SMILES:	O=P(O)(O)OCC3OC(n2cnc1c(ncnc12)N)C(O)C3OP(=O)(O)O
InChi:	InChI=1S/C10H15N5O10P2/c11-8-5-9(13-2-12-8)15(3-14-5)10-6(16)7(25-27(20,21)22)4(24-10)1-23-26(17,18)19/h2-4,6-7,10,16H,1H2,(H2,11,12,13)(H2,17,18,19)(H2,20,21,22)/t4-,6-,7-,10-/m1/s1
Definition date:	1999-07-08
Last modified:	2024-09-27
Identifier:	adenosine 3',5'-bis(dihydrogen phosphate)

A3U

A3U
Name:	4-acetamido-L-phenylalanine
Formula:	C11 H14 N2 O3
SMILES:	O=C(C)Nc1ccc(cc1)CC(N)C(=O)O
InChi:	InChI=1S/C11H14N2O3/c1-7(14)13-9-4-2-8(3-5-9)6-10(12)11(15)16/h2-5,10H,6,12H2,1H3,(H,13,14)(H,15,16)/t10-/m0/s1
Definition date:	2021-11-04
Last modified:	2024-09-27
Release date:	2022-06-01
Identifier:	4-acetamido-L-phenylalanine

ODC

ODC
Name:	2-chloranyl-~{N}-[2-[1-[2-(4-chloranylphenoxy)-2-methyl-propanoyl]piperidin-4-yl]ethyl]ethanamide
Formula:	C19 H26 Cl2 N2 O3
SMILES:	CC(C)(Oc1ccc(Cl)cc1)C(=O)N2CCC(CCNC(=O)CCl)CC2
InChi:	InChI=1S/C19H26Cl2N2O3/c1-19(2,26-16-5-3-15(21)4-6-16)18(25)23-11-8-14(9-12-23)7-10-22-17(24)13-20/h3-6,14H,7-13H2,1-2H3,(H,22,24)
Definition date:	2022-09-05
Last modified:	2024-09-27
Release date:	2023-09-20
Identifier:	2-chloranyl-~{N}-[2-[1-[2-(4-chloranylphenoxy)-2-methyl-propanoyl]piperidin-4-yl]ethyl]ethanamide

A3Z

A3Z
Name:	~{S}-[2-[3-[[(2~{R})-3,3-dimethyl-2-oxidanyl-4-phosphonooxy-butanoyl]amino]propanoylamino]ethyl] (~{E})-but-2-enethioate
Formula:	C15 H27 N2 O8 P S
SMILES:	CC=CC(=O)SCCNC(=O)CCNC(=O)[CH](O)C(C)(C)CO[P](O)(O)=O
InChi:	InChI=1S/C15H27N2O8PS/c1-4-5-12(19)27-9-8-16-11(18)6-7-17-14(21)13(20)15(2,3)10-25-26(22,23)24/h4-5,13,20H,6-10H2,1-3H3,(H,16,18)(H,17,21)(H2,22,23,24)/b5-4+/t13-/m0/s1
Definition date:	2023-07-17
Last modified:	2024-09-27
Release date:	2023-11-22
Identifier:	~{S}-[2-[3-[[(2~{R})-3,3-dimethyl-2-oxidanyl-4-phosphonooxy-butanoyl]amino]propanoylamino]ethyl] (~{E})-but-2-enethioate

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