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AGT

AGT
Name:	S-{(S)-AMINO[(4-AMINOBUTYL)AMINO]METHYL}-L-CYSTEINE
Formula:	C8 H20 N4 O2 S
SMILES:	O=C(O)C(N)CSC(NCCCCN)N
InChi:	InChI=1S/C8H20N4O2S/c9-3-1-2-4-12-8(11)15-5-6(10)7(13)14/h6,8,12H,1-5,9-11H2,(H,13,14)/t6-,8-/m0/s1
Definition date:	2006-08-17
Last modified:	2024-09-27
Identifier:	S-{(S)-amino[(4-aminobutyl)amino]methyl}-L-cysteine

AH0

AH0
Name:	2-(2-ACETYLAMINO-4-HYDROXY-6,8-DIOXA-BICYCLO[3.2.1]OCT-3-YLOXY)-PROPIONIC ACID
Formula:	C11 H17 N O7
SMILES:	O=C(O)C(OC2C(O)C1OC(OC1)C2NC(=O)C)C
InChi:	InChI=1S/C11H17NO7/c1-4(10(15)16)18-9-7(12-5(2)13)11-17-3-6(19-11)8(9)14/h4,6-9,11,14H,3H2,1-2H3,(H,12,13)(H,15,16)/t4-,6-,7-,8-,9-,11-/m1/s1
Synonyms:	1,6-anhydro-N-acetylmuramic acid
Definition date:	1999-07-08
Last modified:	2024-09-27
Identifier:	(2R)-2-{[(1R,2S,3R,4R,5R)-4-(acetylamino)-2-hydroxy-6,8-dioxabicyclo[3.2.1]oct-3-yl]oxy}propanoic acid (non-preferred name)

AHB

AHB
Name:	BETA-HYDROXYASPARAGINE
Formula:	C4 H8 N2 O4
SMILES:	O=C(O)C(N)C(O)C(=O)N
InChi:	InChI=1S/C4H8N2O4/c5-1(4(9)10)2(7)3(6)8/h1-2,7H,5H2,(H2,6,8)(H,9,10)/t1-,2-/m0/s1
Definition date:	1999-07-08
Last modified:	2024-09-27
Identifier:	(3S)-3-hydroxy-L-asparagine

AHH

AHH
Name:	AMINO-HYDROXYHEPTANOIC ACID
Formula:	C7 H15 N O3
SMILES:	O=C(O)C(O)C(N)CCCC
InChi:	InChI=1S/C7H15NO3/c1-2-3-4-5(8)6(9)7(10)11/h5-6,9H,2-4,8H2,1H3,(H,10,11)/t5-,6+/m1/s1
Definition date:	1999-07-08
Last modified:	2024-09-27
Identifier:	(2S,3R)-3-amino-2-hydroxyheptanoic acid

AHO

AHO
Name:	N-ACETYL-N-HYDROXY-L-ORNITHINE
Formula:	C7 H14 N2 O4
SMILES:	O=C(N(O)CCCC(N)C(=O)O)C
InChi:	InChI=1S/C7H14N2O4/c1-5(10)9(13)4-2-3-6(8)7(11)12/h6,13H,2-4,8H2,1H3,(H,11,12)/t6-/m0/s1
Synonyms:	5-(ACETYL-HYDROXY-AMINO)-2-AMINO-PENTANOIC ACID
Definition date:	1999-08-13
Last modified:	2024-09-27
Identifier:	N~5~-acetyl-N~5~-hydroxy-L-ornithine

AHP

AHP
Name:	2-AMINO-HEPTANOIC ACID
Formula:	C7 H15 N O2
SMILES:	O=C(O)C(N)CCCCC
InChi:	InChI=1S/C7H15NO2/c1-2-3-4-5-6(8)7(9)10/h6H,2-5,8H2,1H3,(H,9,10)/t6-/m0/s1
Definition date:	2000-06-15
Last modified:	2024-09-27
Identifier:	(2S)-2-aminoheptanoic acid

AHR

AHR
Name:	alpha-L-arabinofuranose
Formula:	C5 H10 O5
SMILES:	OC1C(OC(O)C1O)CO
InChi:	InChI=1S/C5H10O5/c6-1-2-3(7)4(8)5(9)10-2/h2-9H,1H2/t2-,3-,4+,5+/m0/s1
Synonyms:	alpha-L-arabinose
Definition date:	2002-04-23
Last modified:	2024-09-27
Identifier:	alpha-L-arabinofuranose

AHY

AHY
Name:	(2S,3R)-3-AMINO-2-HYDROXYDECANOIC ACID
Formula:	C10 H21 N O3
SMILES:	O=C(O)C(O)C(N)CCCCCCC
InChi:	InChI=1S/C10H21NO3/c1-2-3-4-5-6-7-8(11)9(12)10(13)14/h8-9,12H,2-7,11H2,1H3,(H,13,14)/t8-,9+/m1/s1
Definition date:	2006-11-06
Last modified:	2024-09-27
Identifier:	(2S,3R)-3-amino-2-hydroxydecanoic acid

AI8

AI8
Name:	Ceftaroline, bound form
Formula:	C22 H23 N8 O5 S4
SMILES:	[O-]C(=O)C=3NC(SCC=3Sc2nc(c1cc[n+](cc1)C)cs2)C(C=O)NC(=O)C(=NOCC)/c4nc(sn4)N
InChi:	InChI=1S/C22H22N8O5S4/c1-3-35-28-16(17-27-21(23)39-29-17)18(32)24-12(8-31)19-26-15(20(33)34)14(10-36-19)38-22-25-13(9-37-22)11-4-6-30(2)7-5-11/h4-9,12,19,26H,3,10H2,1-2H3,(H3-,23,24,27,29,32,33,34)/t12-,19-/m1/s1
Definition date:	2012-12-13
Last modified:	2024-09-27
Release date:	2013-10-09
Identifier:	(2R)-2-[(1R)-1-{[(2Z)-2-(5-amino-1,2,4-thiadiazol-3-yl)-2-(ethoxyimino)acetyl]amino}-2-oxoethyl]-5-{[4-(1-methylpyridinium-4-yl)-1,3-thiazol-2-yl]sulfanyl}-3,6-dihydro-2H-1,3-thiazine-4-carboxylate

AIA

AIA
Name:	(1S)-2-[(2S,5R)-2-(AMINOMETHYL)-5-ETHYNYLPYRROLIDIN-1-YL]-1-CYCLOPENTYL-2-OXOETHANAMINE
Formula:	C14 H23 N3 O
SMILES:	O=C(N1C(C#C)CCC1CN)C(N)C2CCCC2
InChi:	InChI=1S/C14H23N3O/c1-2-11-7-8-12(9-15)17(11)14(18)13(16)10-5-3-4-6-10/h1,10-13H,3-9,15-16H2/t11-,12-,13-/m0/s1
Definition date:	2006-03-28
Last modified:	2024-09-27
Identifier:	(1S)-2-[(2S,5R)-2-(aminomethyl)-5-ethynylpyrrolidin-1-yl]-1-cyclopentyl-2-oxoethanamine

AIB

AIB
Name:	ALPHA-AMINOISOBUTYRIC ACID
Formula:	C4 H9 N O2
SMILES:	O=C(O)C(N)(C)C
InChi:	InChI=1S/C4H9NO2/c1-4(2,5)3(6)7/h5H2,1-2H3,(H,6,7)
Definition date:	1999-07-08
Last modified:	2024-09-27
Identifier:	2-methyl-L-alanine

AIO

AIO
Name:	[(2R)-1-(L-ALANYL-L-ISOLEUCYL)PYRROLIDIN-2-YL]BORONIC ACID
Formula:	C13 H26 B N3 O4
SMILES:	O=C(N1CCCC1B(O)O)C(NC(=O)C(N)C)C(C)CC
InChi:	InChI=1S/C13H26BN3O4/c1-4-8(2)11(16-12(18)9(3)15)13(19)17-7-5-6-10(17)14(20)21/h8-11,20-21H,4-7,15H2,1-3H3,(H,16,18)/t8-,9-,10-,11-/m0/s1
Definition date:	2007-02-23
Last modified:	2024-09-27
Identifier:	[(2R)-1-(L-alanyl-L-isoleucyl)pyrrolidin-2-yl]boronic acid

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

AJ3

AJ3
Name:	3-(PROP-2-ENE-1-SULFINYL)-PROPENE-1-THIOL
Formula:	C6 H10 O S2
SMILES:	O=S(CC=C)CC=CS
InChi:	InChI=1S/C6H10OS2/c1-2-5-9(7)6-3-4-8/h2-4,8H,1,5-6H2/b4-3+/t9-/m1/s1
Definition date:	1999-07-08
Last modified:	2024-09-27
Identifier:	(1E)-3-[(R)-prop-2-en-1-ylsulfinyl]prop-1-ene-1-thiol

AJE

AJE
Name:	(3S,4R)-4-amino-1-(3-carboxypropanoyl)pyrrolidine-3-carboxylic acid
Formula:	C9 H14 N2 O5
SMILES:	O=C(N1CC(C(=O)O)C(N)C1)CCC(=O)O
InChi:	InChI=1S/C9H14N2O5/c10-6-4-11(3-5(6)9(15)16)7(12)1-2-8(13)14/h5-6H,1-4,10H2,(H,13,14)(H,15,16)/t5-,6-/m0/s1
Definition date:	2015-02-04
Last modified:	2024-09-27
Release date:	2015-09-09
Identifier:	(3S,4R)-4-amino-1-(3-carboxypropanoyl)pyrrolidine-3-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

AKK

AKK
Name:	(1Z)-prop-1-en-1-amine
Formula:	C3 H7 N
SMILES:	C(=CN)C
InChi:	InChI=1S/C3H7N/c1-2-3-4/h2-3H,4H2,1H3/b3-2-
Definition date:	2011-03-25
Last modified:	2024-09-27
Identifier:	(1Z)-prop-1-en-1-amine

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

AKZ

AKZ
Name:	(3S)-3-amino-4,4-dihydroxybutanoic acid
Formula:	C4 H9 N O4
SMILES:	O=C(O)CC(N)C(O)O
InChi:	InChI=1S/C4H9NO4/c5-2(4(8)9)1-3(6)7/h2,4,8-9H,1,5H2,(H,6,7)/t2-/m0/s1
Definition date:	2011-01-25
Last modified:	2024-09-27
Identifier:	(3S)-3-amino-4,4-dihydroxybutanoic acid

ALA

ALA
Name:	ALANINE
Formula:	C3 H7 N O2
SMILES:	O=C(O)C(N)C
InChi:	InChI=1S/C3H7NO2/c1-2(4)3(5)6/h2H,4H2,1H3,(H,5,6)/t2-/m0/s1
Definition date:	1999-07-08
Last modified:	2024-09-27
Identifier:	L-alanine

ALC

ALC
Name:	2-AMINO-3-CYCLOHEXYL-PROPIONIC ACID
Formula:	C9 H17 N O2
SMILES:	O=C(O)C(N)CC1CCCCC1
InChi:	InChI=1S/C9H17NO2/c10-8(9(11)12)6-7-4-2-1-3-5-7/h7-8H,1-6,10H2,(H,11,12)/t8-/m0/s1
Definition date:	2000-06-30
Last modified:	2024-09-27
Identifier:	3-cyclohexyl-L-alanine

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

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