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AWQ

AWQ
Name:	3-[4-(2-hydroxy-2-oxoethyl)-2,5-dimethyl-1~{H}-pyrrol-3-yl]propanoic acid
Formula:	C11 H15 N O4
SMILES:	Cc1[nH]c(C)c(CC(O)=O)c1CCC(O)=O
InChi:	InChI=1S/C11H15NO4/c1-6-8(3-4-10(13)14)9(5-11(15)16)7(2)12-6/h12H,3-5H2,1-2H3,(H,13,14)(H,15,16)
Definition date:	2017-08-29
Last modified:	2024-09-27
Release date:	2017-09-06
Identifier:	3-[4-(2-hydroxy-2-oxoethyl)-2,5-dimethyl-1~{H}-pyrrol-3-yl]propanoic acid

AWX

AWX
Name:	N-({4-[4-amino-3-(3,5-dimethyl-1-benzofuran-2-yl)-7-oxo-6,7-dihydro-2H-pyrazolo[3,4-d]pyridazin-2-yl]phenyl}methyl)prop-2-enamide
Formula:	C25 H22 N6 O3
SMILES:	C=[C@H]C(=O)NCc1ccc(cc1)n4c(c2oc3c(c2C)cc(C)cc3)c5c(n4)C(NN=C5N)=O
InChi:	InChI=1S/C25H22N6O3/c1-4-19(32)27-12-15-6-8-16(9-7-15)31-22(20-21(30-31)25(33)29-28-24(20)26)23-14(3)17-11-13(2)5-10-18(17)34-23/h4-11H,1,12H2,2-3H3,(H2,26,28)(H,27,32)(H,29,33)
Definition date:	2018-12-04
Last modified:	2024-09-27
Release date:	2019-10-23
Identifier:	N-({4-[4-amino-3-(3,5-dimethyl-1-benzofuran-2-yl)-7-oxo-6,7-dihydro-2H-pyrazolo[3,4-d]pyridazin-2-yl]phenyl}methyl)prop-2-enamide

2CO

2CO
Name:	S-HYDROPEROXYCYSTEINE
Formula:	C3 H7 N O4 S
SMILES:	O=C(O)C(N)CSOO
InChi:	InChI=1S/C3H7NO4S/c4-2(3(5)6)1-9-8-7/h2,7H,1,4H2,(H,5,6)/t2-/m0/s1
Definition date:	2007-01-16
Last modified:	2024-09-27
Identifier:	S-hydroperoxy-L-cysteine

AX9

AX9
Name:	DiCys-(15,16)-Dihydrobiliverdin
Formula:	C33 H40 N4 O6
SMILES:	O=C(O)CCc1c(C)c(/C=C2NC(=O)C(C)=C2CC)[NH]c1/C=C1N=C(CC2NC(=O)C(CC)=C2C)C(C)=C1CCC(=O)O
InChi:	InChI=1S/C33H40N4O6/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/h14-15,26,35H,7-13H2,1-6H3,(H,36,43)(H,37,42)(H,38,39)(H,40,41)/b27-14-,28-15-/t26-/m1/s1
Synonyms:	15,16-DIHYDROBILIVERDIN (double Cys bound form)
Definition date:	2021-11-11
Last modified:	2024-09-27
Release date:	2023-02-15
Identifier:	3-[(2Z)-2-({3-(2-carboxyethyl)-5-[(Z)-(3-ethyl-4-methyl-5-oxo-1,5-dihydro-2H-pyrrol-2-ylidene)methyl]-4-methyl-1H-pyrrol-2-yl}methylidene)-5-{[(2R)-4-ethyl-3-methyl-5-oxo-2,5-dihydro-1H-pyrrol-2-yl]methyl}-4-methyl-2H-pyrrol-3-yl]propanoic acid

AXD

AXD
Name:	2-[4-({2-[(2S,5R)-2-(AMINOMETHYL)-5-ETHYNYLPYRROLIDIN-1-YL]-2-OXOETHYL}AMINO)-4-METHYLPIPERIDIN-1-YL]ISONICOTINIC ACID
Formula:	C21 H29 N5 O3
SMILES:	O=C(O)c1cc(ncc1)N3CCC(NCC(=O)N2C(C#C)CCC2CN)(CC3)C
InChi:	InChI=1S/C21H29N5O3/c1-3-16-4-5-17(13-22)26(16)19(27)14-24-21(2)7-10-25(11-8-21)18-12-15(20(28)29)6-9-23-18/h1,6,9,12,16-17,24H,4-5,7-8,10-11,13-14,22H2,2H3,(H,28,29)/t16-,17-/m0/s1
Definition date:	2006-08-23
Last modified:	2024-09-27
Identifier:	2-[4-({2-[(2S,5R)-2-(aminomethyl)-5-ethynylpyrrolidin-1-yl]-2-oxoethyl}amino)-4-methylpiperidin-1-yl]pyridine-4-carboxylic acid

AXL

AXL
Name:	2-{1-[2-AMINO-2-(4-HYDROXY-PHENYL)-ACETYLAMINO]-2-OXO-ETHYL}-5,5-DIMETHYL-THIAZOLIDINE-4-CARBOXYLIC ACID
Formula:	C16 H21 N3 O5 S
SMILES:	O=C(NC(C=O)C1SC(C(N1)C(=O)O)(C)C)C(c2ccc(O)cc2)N
InChi:	InChI=1S/C16H21N3O5S/c1-16(2)12(15(23)24)19-14(25-16)10(7-20)18-13(22)11(17)8-3-5-9(21)6-4-8/h3-7,10-12,14,19,21H,17H2,1-2H3,(H,18,22)(H,23,24)/t10-,11-,12+,14-/m1/s1
Synonyms:	AMOXICILLIN, bound form
Definition date:	2002-05-07
Last modified:	2024-09-27
Identifier:	(2R,4S)-2-[(1R)-1-{[(2R)-2-amino-2-(4-hydroxyphenyl)acetyl]amino}-2-oxoethyl]-5,5-dimethyl-1,3-thiazolidine-4-carboxylic acid

2DA

2DA
Name:	2',3'-DIDEOXYADENOSINE-5'-MONOPHOSPHATE
Formula:	C10 H14 N5 O5 P
SMILES:	O=P(O)(O)OCC3OC(n2cnc1c(ncnc12)N)CC3
InChi:	InChI=1S/C10H14N5O5P/c11-9-8-10(13-4-12-9)15(5-14-8)7-2-1-6(20-7)3-19-21(16,17)18/h4-7H,1-3H2,(H2,11,12,13)(H2,16,17,18)/t6-,7+/m0/s1
Definition date:	1999-07-08
Last modified:	2024-09-27
Identifier:	[(2S,5R)-5-(6-amino-9H-purin-9-yl)tetrahydrofuran-2-yl]methyl dihydrogen phosphate

2DB

2DB
Name:	(S)-(2,3-DIHYDROXYPROPOXY)TRIHYDROXYBORATE
Formula:	C3 H10 B O6
SMILES:	O[B-](O)(O)OCC(O)CO
InChi:	InChI=1S/C3H10BO6/c5-1-3(6)2-10-4(7,8)9/h3,5-9H,1-2H2/q-1/t3-/m0/s1
Definition date:	2006-09-19
Last modified:	2024-09-27
Identifier:	trihydroxy[(2S)-propane-1,2,3-triolato-kappaO~1~]borate(1-)

2DG

2DG
Name:	2-deoxy-alpha-D-galactopyranose
Formula:	C6 H12 O5
SMILES:	OC1C(OC(O)CC1O)CO
InChi:	InChI=1S/C6H12O5/c7-2-4-6(10)3(8)1-5(9)11-4/h3-10H,1-2H2/t3-,4-,5+,6-/m1/s1
Synonyms:	2-deoxy-alpha-D-lyxo-hexopyranose
Definition date:	2001-10-02
Last modified:	2024-09-27
Identifier:	2-deoxy-alpha-D-lyxo-hexopyranose

AY0

AY0
Name:	(1R,2R,3S)-2-(methylcarbamoyl)-3-[4-(phosphonooxy)phenyl]cyclopropanecarboxylic acid
Formula:	C12 H14 N O7 P
SMILES:	O=C(NC)C2C(c1ccc(OP(=O)(O)O)cc1)C2C(=O)O
InChi:	InChI=1S/C12H14NO7P/c1-13-11(14)9-8(10(9)12(15)16)6-2-4-7(5-3-6)20-21(17,18)19/h2-5,8-10H,1H3,(H,13,14)(H,15,16)(H2,17,18,19)/t8-,9+,10+/m0/s1
Definition date:	2010-10-09
Last modified:	2024-09-27
Identifier:	(1R,2R,3S)-2-(methylcarbamoyl)-3-[4-(phosphonooxy)phenyl]cyclopropanecarboxylic acid

2DO

2DO
Name:	(2S)-2-AMINOHEXANE-1,1-DIOL
Formula:	C6 H15 N O2
SMILES:	OC(O)C(N)CCCC
InChi:	InChI=1S/C6H15NO2/c1-2-3-4-5(7)6(8)9/h5-6,8-9H,2-4,7H2,1H3/t5-/m0/s1
Definition date:	2005-09-26
Last modified:	2024-09-27
Identifier:	(2S)-2-aminohexane-1,1-diol

2DR

2DR
Name:	2-deoxy-beta-D-erythro-pentofuranose
Formula:	C5 H10 O4
SMILES:	OCC1OC(O)CC1O
InChi:	InChI=1S/C5H10O4/c6-2-4-3(7)1-5(8)9-4/h3-8H,1-2H2/t3-,4+,5+/m0/s1
Synonyms:	2-deoxy-beta-D-ribofuranose
Definition date:	2009-07-20
Last modified:	2024-09-27
Identifier:	2-deoxy-beta-D-erythro-pentofuranose

AYA

AYA
Name:	N-ACETYLALANINE
Formula:	C5 H9 N O3
SMILES:	O=C(NC(C(=O)O)C)C
InChi:	InChI=1S/C5H9NO3/c1-3(5(8)9)6-4(2)7/h3H,1-2H3,(H,6,7)(H,8,9)/t3-/m0/s1
Definition date:	1999-07-08
Last modified:	2024-09-27
Identifier:	N-acetyl-L-alanine

AYC

AYC
Name:	ALAREMYCIN 2
Formula:	C8 H13 N O4
SMILES:	O=C(C(NC(=O)C)C)CCC(=O)O
InChi:	InChI=1S/C8H13NO4/c1-5(9-6(2)10)7(11)3-4-8(12)13/h5H,3-4H2,1-2H3,(H,9,10)(H,12,13)/t5-/m1/s1
Synonyms:	(5R)-5-ACETAMIDO-4-OXO-HEXANOIC ACID
Definition date:	2009-07-27
Last modified:	2024-09-27
Identifier:	(5R)-5-(acetylamino)-4-oxohexanoic acid

2EI

2EI
Name:	2-methyl-5-[[3-[1-[(3~{S},5~{R})-5-methyl-1-propanoyl-pyrrolidin-3-yl]-4-pyridin-4-yl-pyrazol-3-yl]phenoxy]methyl]-3~{H}-isoindol-1-one
Formula:	C32 H33 N5 O3
SMILES:	CCC(=O)N1C[CH](C[CH]1C)n2cc(c3ccncc3)c(n2)c4cccc(OCc5ccc6c(CN(C)C6=O)c5)c4
InChi:	InChI=1S/C32H33N5O3/c1-4-30(38)36-18-26(14-21(36)2)37-19-29(23-10-12-33-13-11-23)31(34-37)24-6-5-7-27(16-24)40-20-22-8-9-28-25(15-22)17-35(3)32(28)39/h5-13,15-16,19,21,26H,4,14,17-18,20H2,1-3H3/t21-,26+/m1/s1
Definition date:	2023-07-11
Last modified:	2024-09-27
Release date:	2024-06-05
Identifier:	2-methyl-5-[[3-[1-[(3~{S},5~{R})-5-methyl-1-propanoyl-pyrrolidin-3-yl]-4-pyridin-4-yl-pyrazol-3-yl]phenoxy]methyl]-3~{H}-isoindol-1-one

AZ0

AZ0
Name:	ethyl (5S,8S,14S)-14-hydroxy-5,8,11-tris(2-methylpropyl)-3,6,9,12-tetraoxo-1-phenyl-2-oxa-4,7,10,11-tetraazapentadecan-15-oate
Formula:	C30 H48 N4 O8
SMILES:	O=C(OCC)C(O)CC(=O)N(NC(=O)C(NC(=O)C(NC(=O)OCc1ccccc1)CC(C)C)CC(C)C)CC(C)C
InChi:	InChI=1S/C30H48N4O8/c1-8-41-29(39)25(35)16-26(36)34(17-21(6)7)33-28(38)24(15-20(4)5)31-27(37)23(14-19(2)3)32-30(40)42-18-22-12-10-9-11-13-22/h9-13,19-21,23-25,35H,8,14-18H2,1-7H3,(H,31,37)(H,32,40)(H,33,38)/t23-,24-,25-/m0/s1
Definition date:	2009-03-18
Last modified:	2024-09-27
Identifier:	ethyl (5S,8S,14S)-14-hydroxy-5,8,11-tris(2-methylpropyl)-3,6,9,12-tetraoxo-1-phenyl-2-oxa-4,7,10,11-tetraazapentadecan-15-oate

AZ1

AZ1
Name:	AZELAIC ACID
Formula:	C9 H16 O4
SMILES:	O=C(O)CCCCCCCC(=O)O
InChi:	InChI=1S/C9H16O4/c10-8(11)6-4-2-1-3-5-7-9(12)13/h1-7H2,(H,10,11)(H,12,13)
Definition date:	2004-07-07
Last modified:	2024-09-27
Identifier:	nonanedioic acid

2EV

2EV
Name:	(3S,4S)-1-[(2-chlorophenyl)sulfonyl]-N-[(2E)-2-iminoethyl]-4-(morpholin-4-ylcarbonyl)pyrrolidine-3-carboxamide
Formula:	C18 H23 Cl N4 O5 S
SMILES:	O=C(N1CCOCC1)C3C(C(=O)NCC=[N@H])CN(S(=O)(=O)c2ccccc2Cl)C3
InChi:	InChI=1S/C18H23ClN4O5S/c19-15-3-1-2-4-16(15)29(26,27)23-11-13(17(24)21-6-5-20)14(12-23)18(25)22-7-9-28-10-8-22/h1-5,13-14,20H,6-12H2,(H,21,24)/b20-5+/t13-,14-/m1/s1
Definition date:	2013-10-01
Last modified:	2024-09-27
Release date:	2014-08-20
Identifier:	(3S,4S)-1-[(2-chlorophenyl)sulfonyl]-N-[(2E)-2-iminoethyl]-4-(morpholin-4-ylcarbonyl)pyrrolidine-3-carboxamide

2EW

2EW
Name:	(3S,4S)-N-[(2E)-2-iminoethyl]-4-(morpholin-4-ylcarbonyl)-1-(phenylsulfonyl)pyrrolidine-3-carboxamide
Formula:	C18 H24 N4 O5 S
SMILES:	O=C(N1CCOCC1)C3C(C(=O)NCC=[N@H])CN(S(=O)(=O)c2ccccc2)C3
InChi:	InChI=1S/C18H24N4O5S/c19-6-7-20-17(23)15-12-22(28(25,26)14-4-2-1-3-5-14)13-16(15)18(24)21-8-10-27-11-9-21/h1-6,15-16,19H,7-13H2,(H,20,23)/b19-6+/t15-,16-/m1/s1
Definition date:	2013-10-01
Last modified:	2024-09-27
Release date:	2014-09-10
Identifier:	(3S,4S)-N-[(2E)-2-iminoethyl]-4-(morpholin-4-ylcarbonyl)-1-(phenylsulfonyl)pyrrolidine-3-carboxamide

AZE

AZE
Name:	ALL-TRANS AXEROPHTHENE
Formula:	C20 H30
SMILES:	C(/C1=C(CCCC1(C)C)C)=CC(=CC=CC(=CC)C)C
InChi:	InChI=1S/C20H30/c1-7-16(2)10-8-11-17(3)13-14-19-18(4)12-9-15-20(19,5)6/h7-8,10-11,13-14H,9,12,15H2,1-6H3/b10-8+,14-13+,16-7+,17-11+
Definition date:	1999-07-08
Last modified:	2024-09-27
Identifier:	2-[(1E,3E,5E,7E)-3,7-dimethylnona-1,3,5,7-tetraen-1-yl]-1,3,3-trimethylcyclohexene

2F3

2F3
Name:	1-[(2-chloroquinolin-3-yl)methyl]-6-fluoro-5-methyl-3-(2-oxo-1,2-dihydropyridin-3-yl)-1H-indole-2-carboxylic acid
Formula:	C25 H17 Cl F N3 O3
SMILES:	O=C5NC=CC=C5c2c1cc(c(F)cc1n(c2C(=O)O)Cc3cc4ccccc4nc3Cl)C
InChi:	InChI=1S/C25H17ClFN3O3/c1-13-9-17-20(11-18(13)27)30(12-15-10-14-5-2-3-7-19(14)29-23(15)26)22(25(32)33)21(17)16-6-4-8-28-24(16)31/h2-11H,12H2,1H3,(H,28,31)(H,32,33)
Definition date:	2013-10-07
Last modified:	2024-09-27
Release date:	2013-12-11
Identifier:	1-[(2-chloroquinolin-3-yl)methyl]-6-fluoro-5-methyl-3-(2-oxo-1,2-dihydropyridin-3-yl)-1H-indole-2-carboxylic acid

AZH

AZH
Name:	AZIDOHOMOALANINE
Formula:	C4 H9 N4 O2
SMILES:	O=C(O)C(N)CCN=[N+]=[N@H]
InChi:	InChI=1S/C4H8N4O2/c5-3(4(9)10)1-2-7-8-6/h3,6H,1-2,5H2/p+1/t3-/m0/s1
Definition date:	2010-08-09
Last modified:	2024-09-27
Identifier:	1-[(3S)-3-amino-3-carboxypropyl]triaza-1,2-dien-2-ium

AZI

AZI
Name:	AZIDE ION
Formula:	N3
SMILES:	[N-]=[N+]=[N-]
InChi:	InChI=1S/N3/c1-3-2/q-1
Definition date:	1999-07-08
Last modified:	2024-09-27
Identifier:	azide

AZK

AZK
Name:	(S)-2-AMINO-6-AZIDOHEXANOIC ACID
Formula:	C6 H14 N4 O
SMILES:	[N-]=[N+]=N/CCCCC(N)CO
InChi:	InChI=1S/C6H14N4O/c7-6(5-11)3-1-2-4-9-10-8/h6,11H,1-5,7H2/t6-/m0/s1
Synonyms:	EPSILON-AZIDO-LYSINE
Definition date:	2005-08-04
Last modified:	2024-09-27
Identifier:	(2S)-2-amino-6-azidohexan-1-ol

AZM

AZM
Name:	5-ACETAMIDO-1,3,4-THIADIAZOLE-2-SULFONAMIDE
Formula:	C4 H6 N4 O3 S2
SMILES:	O=S(=O)(c1nnc(s1)NC(=O)C)N
InChi:	InChI=1S/C4H6N4O3S2/c1-2(9)6-3-7-8-4(12-3)13(5,10)11/h1H3,(H2,5,10,11)(H,6,7,9)
Definition date:	1999-07-08
Last modified:	2024-09-27
Identifier:	N-(5-sulfamoyl-1,3,4-thiadiazol-2-yl)acetamide

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