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AIR

AIR
Name:	5-AMINOIMIDAZOLE RIBONUCLEOTIDE
Formula:	C8 H14 N3 O7 P
SMILES:	O=P(O)(O)OCC2OC(n1cncc1N)C(O)C2O
InChi:	InChI=1S/C8H14N3O7P/c9-5-1-10-3-11(5)8-7(13)6(12)4(18-8)2-17-19(14,15)16/h1,3-4,6-8,12-13H,2,9H2,(H2,14,15,16)/t4-,6-,7-,8-/m1/s1
Definition date:	1999-10-21
Last modified:	2024-09-27
Identifier:	1-(5-O-phosphono-beta-D-ribofuranosyl)-1H-imidazol-5-amine

AIX

AIX
Name:	(2R,4S)-2-[(1R)-1-{[(2R)-2-amino-2-phenylacetyl]amino}-2-oxoethyl]-5,5-dimethyl-1,3-thiazolidine-4-carboxylic acid
Formula:	C16 H21 N3 O4 S
SMILES:	O=C(NC(C=O)C1SC(C(N1)C(=O)O)(C)C)C(c2ccccc2)N
InChi:	InChI=1S/C16H21N3O4S/c1-16(2)12(15(22)23)19-14(24-16)10(8-20)18-13(21)11(17)9-6-4-3-5-7-9/h3-8,10-12,14,19H,17H2,1-2H3,(H,18,21)(H,22,23)/t10-,11-,12+,14-/m1/s1
Synonyms:	AMPICILLIN (open form)
Definition date:	2009-07-02
Last modified:	2024-09-27
Identifier:	(2R,4S)-2-[(1R)-1-{[(2R)-2-amino-2-phenylacetyl]amino}-2-oxoethyl]-5,5-dimethyl-1,3-thiazolidine-4-carboxylic acid

AJF

AJF
Name:	methyl (2S)-2-[(3-ethanoylphenyl)carbonylamino]-3-phenyl-propanoate
Formula:	C19 H19 N O4
SMILES:	COC(=O)[CH](Cc1ccccc1)NC(=O)c2cccc(c2)C(C)=O
InChi:	InChI=1S/C19H19NO4/c1-13(21)15-9-6-10-16(12-15)18(22)20-17(19(23)24-2)11-14-7-4-3-5-8-14/h3-10,12,17H,11H2,1-2H3,(H,20,22)/t17-/m0/s1
Definition date:	2023-05-16
Last modified:	2024-09-27
Release date:	2024-05-15
Identifier:	methyl (2~{S})-2-[(3-ethanoylphenyl)carbonylamino]-3-phenyl-propanoate

AKG

AKG
Name:	2-OXOGLUTARIC ACID
Formula:	C5 H6 O5
SMILES:	O=C(O)C(=O)CCC(=O)O
InChi:	InChI=1S/C5H6O5/c6-3(5(9)10)1-2-4(7)8/h1-2H2,(H,7,8)(H,9,10)
Definition date:	1999-07-08
Last modified:	2024-09-27
Identifier:	2-oxopentanedioic acid

AKP

AKP
Name:	N-(PYRAZIN-2-YLCARBONYL)LEUCYLISOLEUCYL-N~1~-{1-[2-({1-CARBOXY-2-[4-(PHOSPHONOOXY)PHENYL]ETHYL}AMINO)-1,1-DIHYDROXY-2-OXOETHYL]BUT-3-ENYL}-3-CYCLOHEXYLALANINAMIDE
Formula:	C41 H60 N7 O13 P
SMILES:	O=C(NC(C(=O)NC(C(=O)NC(C(=O)NC(C(O)(O)C(=O)NC(C(=O)O)Cc1ccc(OP(=O)(O)O)cc1)CC=C)CC2CCCCC2)C(C)CC)CC(C)C)c3nccnc3
InChi:	InChI=1S/C41H60N7O13P/c1-6-11-33(41(56,57)40(55)46-31(39(53)54)22-27-14-16-28(17-15-27)61-62(58,59)60)47-35(49)30(21-26-12-9-8-10-13-26)45-38(52)34(25(5)7-2)48-36(50)29(20-24(3)4)44-37(51)32-23-42-18-19-43-32/h6,14-19,23-26,29-31,33-34,56-57H,1,7-13,20-22H2,2-5H3,(H,44,51)(H,45,52)(H,46,55)(H,47,49)(H,48,50)(H,53,54)(H2,58,59,60)/t25-,29-,30-,31-,33-,34-/m0/s1
Definition date:	2004-08-30
Last modified:	2024-09-27
Identifier:	N-(pyrazin-2-ylcarbonyl)-L-leucyl-L-isoleucyl-N-{(1S)-1-[2-({(1S)-1-carboxy-2-[4-(phosphonooxy)phenyl]ethyl}amino)-1,1-dihydroxy-2-oxoethyl]but-3-en-1-yl}-3-cyclohexyl-L-alaninamide

ALD

ALD
Name:	N-[(benzyloxy)carbonyl]-L-leucyl-N-[(2S)-1-hydroxy-4-methylpentan-2-yl]-L-leucinamide
Formula:	C26 H43 N3 O5
SMILES:	O=C(NC(CC(C)C)CO)C(NC(=O)C(NC(=O)OCc1ccccc1)CC(C)C)CC(C)C
InChi:	InChI=1S/C26H43N3O5/c1-17(2)12-21(15-30)27-24(31)22(13-18(3)4)28-25(32)23(14-19(5)6)29-26(33)34-16-20-10-8-7-9-11-20/h7-11,17-19,21-23,30H,12-16H2,1-6H3,(H,27,31)(H,28,32)(H,29,33)/t21-,22-,23-/m0/s1
Definition date:	1999-07-08
Last modified:	2024-09-27
Identifier:	N-[(benzyloxy)carbonyl]-L-leucyl-N-[(2S)-1-hydroxy-4-methylpentan-2-yl]-L-leucinamide

ALK

ALK
Name:	methoxy-[(1~{R})-1-oxidanylethyl]phosphinic acid
Formula:	C3 H9 O4 P
SMILES:	CO[P](O)(=O)[CH](C)O
InChi:	InChI=1S/C3H9O4P/c1-3(4)8(5,6)7-2/h3-4H,1-2H3,(H,5,6)/t3-/m1/s1
Definition date:	2007-12-14
Last modified:	2024-09-27
Identifier:	methoxy-[(1~{R})-1-oxidanylethyl]phosphinic acid

ALN

ALN
Name:	NAPHTHALEN-2-YL-3-ALANINE
Formula:	C13 H13 N O2
SMILES:	O=C(O)C(N)Cc2cccc1ccccc12
InChi:	InChI=1S/C13H13NO2/c14-12(13(15)16)8-10-6-3-5-9-4-1-2-7-11(9)10/h1-7,12H,8,14H2,(H,15,16)/t12-/m0/s1
Definition date:	1999-07-08
Last modified:	2024-09-27
Identifier:	(2S)-2-amino-3-naphthalen-1-ylpropanoic acid (non-preferred name)

ALS

ALS
Name:	(3S)-3-(sulfooxy)-L-serine
Formula:	C3 H7 N O7 S
SMILES:	C(C(C(OS(O)(=O)=O)O)N)(O)=O
InChi:	InChI=1S/C3H7NO7S/c4-1(2(5)6)3(7)11-12(8,9)10/h1,3,7H,4H2,(H,5,6)(H,8,9,10)/t1-,3+/m1/s1
Definition date:	1999-07-08
Last modified:	2024-09-27
Identifier:	(3S)-3-(sulfooxy)-L-serine

AMP

AMP
Name:	ADENOSINE MONOPHOSPHATE
Formula:	C10 H14 N5 O7 P
SMILES:	O=P(O)(O)OCC3OC(n2cnc1c(ncnc12)N)C(O)C3O
InChi:	InChI=1S/C10H14N5O7P/c11-8-5-9(13-2-12-8)15(3-14-5)10-7(17)6(16)4(22-10)1-21-23(18,19)20/h2-4,6-7,10,16-17H,1H2,(H2,11,12,13)(H2,18,19,20)/t4-,6-,7-,10-/m1/s1
Definition date:	1999-07-08
Last modified:	2024-09-27
Identifier:	5'-adenylic acid

AMU

AMU
Name:	N-acetyl-beta-muramic acid
Formula:	C11 H19 N O8
SMILES:	O=C(O)C(OC1C(O)C(OC(O)C1NC(=O)C)CO)C
InChi:	InChI=1S/C11H19NO8/c1-4(10(16)17)19-9-7(12-5(2)14)11(18)20-6(3-13)8(9)15/h4,6-9,11,13,15,18H,3H2,1-2H3,(H,12,14)(H,16,17)/t4-,6-,7-,8-,9-,11-/m1/s1
Synonyms:	N-acetyl-muramic acid
Definition date:	1999-07-08
Last modified:	2024-09-27
Identifier:	2-(acetylamino)-3-O-[(1R)-1-carboxyethyl]-2-deoxy-beta-D-glucopyranose

AMV

AMV
Name:	methyl 2-acetamido-3-O-[(1R)-1-carboxyethyl]-2-deoxy-beta-D-glucopyranoside
Formula:	C12 H21 N O8
SMILES:	O=C(O)C(OC1C(O)C(OC(OC)C1NC(=O)C)CO)C
InChi:	InChI=1S/C12H21NO8/c1-5(11(17)18)20-10-8(13-6(2)15)12(19-3)21-7(4-14)9(10)16/h5,7-10,12,14,16H,4H2,1-3H3,(H,13,15)(H,17,18)/t5-,7-,8-,9-,10-,12-/m1/s1
Synonyms:	METHYL 2-(ACETYLAMINO)-3-O-[(1R)-1-CARBOXYETHYL]-2-DEOXY-BETA-D-GLUCOPYRANOSIDE
Definition date:	2006-10-25
Last modified:	2024-09-27
Identifier:	methyl 2-(acetylamino)-3-O-[(1R)-1-carboxyethyl]-2-deoxy-beta-D-glucopyranoside

AN6

AN6
Name:	5'-{[(3S)-3-amino-3-carboxypropyl](ethyl)amino}-5'-deoxyadenosine
Formula:	C16 H25 N7 O5
SMILES:	O=C(O)C(N)CCN(CC)CC3OC(n2cnc1c(ncnc12)N)C(O)C3O
InChi:	InChI=1S/C16H25N7O5/c1-2-22(4-3-8(17)16(26)27)5-9-11(24)12(25)15(28-9)23-7-21-10-13(18)19-6-20-14(10)23/h6-9,11-12,15,24-25H,2-5,17H2,1H3,(H,26,27)(H2,18,19,20)/t8-,9+,11+,12+,15+/m0/s1
Definition date:	2009-07-28
Last modified:	2024-09-27
Identifier:	5'-{[(3S)-3-amino-3-carboxypropyl](ethyl)amino}-5'-deoxyadenosine

AO0

AO0
Name:	1-[3-(diphenoxyphosphorylamino)phenyl]ethanone
Formula:	C20 H18 N O4 P
SMILES:	CC(=O)c1cccc(N[P](=O)(Oc2ccccc2)Oc3ccccc3)c1
InChi:	InChI=1S/C20H18NO4P/c1-16(22)17-9-8-10-18(15-17)21-26(23,24-19-11-4-2-5-12-19)25-20-13-6-3-7-14-20/h2-15H,1H3,(H,21,23)
Definition date:	2023-05-16
Last modified:	2024-09-27
Release date:	2024-05-15
Identifier:	1-[3-(diphenoxyphosphorylamino)phenyl]ethanone

AOP

AOP
Name:	PENTYLOXYAMINO-ACETALDEHYDE
Formula:	C7 H15 N O2
SMILES:	O=CCNOCCCCC
InChi:	InChI=1S/C7H15NO2/c1-2-3-4-7-10-8-5-6-9/h6,8H,2-5,7H2,1H3
Definition date:	1999-07-08
Last modified:	2024-09-27
Identifier:	[(pentyloxy)amino]acetaldehyde

APA

APA
Name:	(2S)-3-(4-carbamimidoylphenyl)-2-hydroxypropanoic acid
Formula:	C10 H12 N2 O3
SMILES:	O=C(O)C(O)Cc1ccc(cc1)C(=[N@H])N
InChi:	InChI=1S/C10H12N2O3/c11-9(12)7-3-1-6(2-4-7)5-8(13)10(14)15/h1-4,8,13H,5H2,(H3,11,12)(H,14,15)/t8-/m0/s1
Definition date:	1999-07-08
Last modified:	2024-09-27
Identifier:	(2S)-3-(4-carbamimidoylphenyl)-2-hydroxypropanoic acid

APB

APB
Name:	M-AMINOPHENYLBORONIC ACID
Formula:	C6 H8 B N O2
SMILES:	OB(O)c1cccc(N)c1
InChi:	InChI=1S/C6H8BNO2/c8-6-3-1-2-5(4-6)7(9)10/h1-4,9-10H,8H2
Definition date:	1999-07-08
Last modified:	2024-09-27
Identifier:	(3-aminophenyl)boronic acid

APG

APG
Name:	ATROLACTIC ACID (2-PHENYL-LACTIC ACID)
Formula:	C9 H10 O3
SMILES:	O=C(O)C(O)(c1ccccc1)C
InChi:	InChI=1S/C9H10O3/c1-9(12,8(10)11)7-5-3-2-4-6-7/h2-6,12H,1H3,(H,10,11)/t9-/m0/s1
Definition date:	1999-07-08
Last modified:	2024-09-27
Identifier:	(2S)-2-hydroxy-2-phenylpropanoic acid

APK

APK
Name:	5'-O-[(S)-{[(5S)-5-AMINO-6-OXOHEXYL]AMINO}(HYDROXY)PHOSPHORYL]ADENOSINE
Formula:	C16 H26 N7 O7 P
SMILES:	O=CC(N)CCCCNP(=O)(O)OCC3OC(n2cnc1c(ncnc12)N)C(O)C3O
InChi:	InChI=1S/C16H26N7O7P/c17-9(5-24)3-1-2-4-22-31(27,28)29-6-10-12(25)13(26)16(30-10)23-8-21-11-14(18)19-7-20-15(11)23/h5,7-10,12-13,16,25-26H,1-4,6,17H2,(H2,18,19,20)(H2,22,27,28)/t9-,10+,12+,13+,16+/m0/s1
Definition date:	2006-02-21
Last modified:	2024-09-27
Identifier:	5'-O-[(S)-{[(5S)-5-amino-6-oxohexyl]amino}(hydroxy)phosphoryl]adenosine

APN

APN
Name:	2-AMINOETHYLGLYCINE-CARBONYLMETHYLENE-ADENINE
Formula:	C11 H16 N7 O3
SMILES:	O=C(O)CN(C(=O)Cn1c2ncnc(c2nc1)N)CC[NH3+]
InChi:	InChI=1S/C11H15N7O3/c12-1-2-17(4-8(20)21)7(19)3-18-6-16-9-10(13)14-5-15-11(9)18/h5-6H,1-4,12H2,(H,20,21)(H2,13,14,15)/p+1
Definition date:	1999-07-08
Last modified:	2024-09-27
Identifier:	2-{[(6-amino-9H-purin-9-yl)acetyl](carboxymethyl)amino}ethanaminium

APY

APY
Name:	2-AMINOMETHYL-PYRIDINE
Formula:	C6 H8 N2
SMILES:	n1ccccc1CN
InChi:	InChI=1S/C6H8N2/c7-5-6-3-1-2-4-8-6/h1-4H,5,7H2
Definition date:	1999-07-08
Last modified:	2024-09-27
Identifier:	1-pyridin-2-ylmethanamine

AQ7

AQ7
Name:	N-[(3R)-1-propanoylpiperidine-3-carbonyl]-L-alanine
Formula:	C12 H20 N2 O4
SMILES:	C(=O)(CC)N1CC(C(NC(C)C(=O)O)=O)CCC1
InChi:	InChI=1S/C12H20N2O4/c1-3-10(15)14-6-4-5-9(7-14)11(16)13-8(2)12(17)18/h8-9H,3-7H2,1-2H3,(H,13,16)(H,17,18)/t8-,9+/m0/s1
Synonyms:	N-[(3R)-1-acryloylpiperidine-3-carbonyl]-L-alanine, bound form
Definition date:	2017-07-21
Last modified:	2024-09-27
Release date:	2018-01-17
Identifier:	N-[(3R)-1-propanoylpiperidine-3-carbonyl]-L-alanine

AQR

AQR
Name:	(2R,4aS,6aS,12bR,14aS,14bR)-10-hydroxy-2,4a,6a,9,12b,14a-hexamethyl-11-oxo-1,2,3,4,4a,5,6,6a,11,12b,13,14,14a,14b-tetradecahydropicene-2-carboxylic acid
Formula:	C29 H38 O4
SMILES:	C1=C2C(C(C)=C(C1=O)O)=CC=C3C4(C(CCC23C)(C5C(CC4)(CCC(C5)(C(=O)O)C)C)C)C
InChi:	InChI=1S/C29H38O4/c1-17-18-7-8-21-27(4,19(18)15-20(30)23(17)31)12-14-29(6)22-16-26(3,24(32)33)10-9-25(22,2)11-13-28(21,29)5/h7-8,15,22,31H,9-14,16H2,1-6H3,(H,32,33)/t22-,25-,26-,27+,28-,29+/m1/s1
Definition date:	2018-11-20
Last modified:	2024-09-27
Release date:	2022-12-28
Identifier:	(2R,4aS,6aS,12bR,14aS,14bR)-10-hydroxy-2,4a,6a,9,12b,14a-hexamethyl-11-oxo-1,2,3,4,4a,5,6,6a,11,12b,13,14,14a,14b-tetradecahydropicene-2-carboxylic acid

AR0

AR0
Name:	4-amino-1-{[amino(iminio)methyl]amino}-6-[4-(carboxymethyl)pyridinium-1-yl]-1,2,3,4,6-pentadeoxy-D-erythro-hexitol
Formula:	C14 H25 N5 O3
SMILES:	O=C(O)Cc1cc[n+](cc1)CC(O)C(N)CCCNC(=[NH2+])N
InChi:	InChI=1S/C14H23N5O3/c15-11(2-1-5-18-14(16)17)12(20)9-19-6-3-10(4-7-19)8-13(21)22/h3-4,6-7,11-12,20H,1-2,5,8-9,15H2,(H4-,16,17,18,21,22)/p+2/t11-,12+/m0/s1
Definition date:	2010-09-17
Last modified:	2024-09-27
Identifier:	4-amino-1-{[amino(iminio)methyl]amino}-6-[4-(carboxymethyl)pyridinium-1-yl]-1,2,3,4,6-pentadeoxy-D-erythro-hexitol

AR6

AR6
Name:	[(2R,3S,4R,5R)-5-(6-AMINOPURIN-9-YL)-3,4-DIHYDROXY-OXOLAN-2-YL]METHYL [HYDROXY-[[(2R,3S,4R,5S)-3,4,5-TRIHYDROXYOXOLAN-2-YL]METHOXY]PHOSPHORYL] HYDROGEN PHOSPHATE
Formula:	C15 H23 N5 O14 P2
SMILES:	O=P(OCC3OC(n1c2ncnc(N)c2nc1)C(O)C3O)(O)OP(=O)(O)OCC4OC(O)C(O)C4O
InChi:	InChI=1S/C15H23N5O14P2/c16-12-7-13(18-3-17-12)20(4-19-7)14-10(23)8(21)5(32-14)1-30-35(26,27)34-36(28,29)31-2-6-9(22)11(24)15(25)33-6/h3-6,8-11,14-15,21-25H,1-2H2,(H,26,27)(H,28,29)(H2,16,17,18)/t5-,6-,8-,9-,10-,11-,14-,15+/m1/s1
Synonyms:	Adenosine-5-Diphosphoribose
Definition date:	2009-08-10
Last modified:	2024-09-27
Identifier:	[(2R,3S,4R,5R)-5-(6-amino-9H-purin-9-yl)-3,4-dihydroxytetrahydrofuran-2-yl]methyl [(2R,3S,4R,5S)-3,4,5-trihydroxytetrahydrofuran-2-yl]methyl dihydrogen diphosphate (non-preferred name)

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