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G25

G25
Name:	GUANOSINE-5'-MONOPHOSPHATE
Formula:	C10 H14 N5 O8 P
SMILES:	O=C1c2ncn(c2N=C(N)N1)C3OC(C(O)C3O)COP(=O)(O)O
InChi:	InChI=1S/C10H14N5O8P/c11-10-13-7-4(8(18)14-10)12-2-15(7)9-6(17)5(16)3(23-9)1-22-24(19,20)21/h2-3,5-6,9,16-17H,1H2,(H2,19,20,21)(H3,11,13,14,18)/t3-,5-,6-,9-/m1/s1
Definition date:	2002-08-23
Last modified:	2011-12-12
Identifier:	5'-guanylic acid

SRI

SRI
Name:	(2Z)-3-HYDROXY-2-IMINOPROPANOIC ACID
Formula:	C3 H5 N O3
SMILES:	O=C(O)C(=[N@H])CO
InChi:	InChI=1S/C3H5NO3/c4-2(1-5)3(6)7/h4-5H,1H2,(H,6,7)/b4-2+
Synonyms:	IMINO-SERINE
Definition date:	2006-12-14
Last modified:	2011-12-12
Identifier:	(2E)-3-hydroxy-2-iminopropanoic acid

ITM

ITM
Name:	ISOCITRIC ACID-MAGNESIUM COMPLEX
Formula:	C6 H7 Mg O7
SMILES:	OC(=O)C[CH]([CH](O[Mg])C(O)=O)C(O)=O
InChi:	InChI=1/C6H7O7.Mg.H/c7-3(8)1-2(5(10)11)4(9)6(12)13
Definition date:	1999-07-08
Last modified:	2011-12-12
Identifier:	[(2R,3S)-3-carboxy-1,5-dihydroxy-1,5-dioxo-pentan-2-yl]oxymagnesium

TBM

TBM
Name:	4-METHYL-4-[(E)-2-BUTENYL]-4,N-DIMETHYL-THREONINE
Formula:	C11 H21 N O3
SMILES:	O=C(O)C(N(C)C)C(O)C(C/C=C/C)C
InChi:	InChI=1S/C11H21NO3/c1-5-6-7-8(2)10(13)9(11(14)15)12(3)4/h5-6,8-10,13H,7H2,1-4H3,(H,14,15)/b6-5+/t8-,9+,10-/m1/s1
Definition date:	1999-07-08
Last modified:	2011-12-12
Identifier:	4-[(2E)-but-2-en-1-yl]-2,4,5-trideoxy-2-(dimethylamino)-L-xylonic acid

A9D

A9D
Name:	(2S)-2-amino-2-carboxyethyl 1-carboxy-L-prolyl-L-prolinate
Formula:	C14 H21 N3 O7
SMILES:	O=C(N1C(C(=O)OCC(C(=O)O)N)CCC1)C2N(C(=O)O)CCC2
InChi:	InChI=1S/C14H21N3O7/c15-8(12(19)20)7-24-13(21)10-4-2-5-16(10)11(18)9-3-1-6-17(9)14(22)23/h8-10H,1-7,15H2,(H,19,20)(H,22,23)/t8-,9-,10-/m0/s1
Definition date:	2009-09-11
Last modified:	2011-12-12
Identifier:	(2S)-2-amino-2-carboxyethyl 1-carboxy-L-prolyl-L-prolinate

U2N

U2N
Name:	2'-AMINO-2'-DEOXYURIDINE 5'-(DIHYDROGEN PHOSPHATE)
Formula:	C9 H14 N3 O8 P
SMILES:	O=P(O)(O)OCC2OC(N1C(=O)NC(=O)C=C1)C(N)C2O
InChi:	InChI=1S/C9H14N3O8P/c10-6-7(14)4(3-19-21(16,17)18)20-8(6)12-2-1-5(13)11-9(12)15/h1-2,4,6-8,14H,3,10H2,(H,11,13,15)(H2,16,17,18)/t4-,6-,7-,8-/m1/s1
Definition date:	2006-11-16
Last modified:	2011-12-12
Identifier:	2'-amino-2'-deoxyuridine 5'-(dihydrogen phosphate)

B7D

B7D
Name:	(3R)-6-chloro-3-(dichloromethyl)-3,4-dihydro-2H-1,2,4-benzothiadiazine-7-sulfonamide 1,1-dioxide
Formula:	C8 H8 Cl3 N3 O4 S2
SMILES:	O=S(=O)(c1c(Cl)cc2c(c1)S(=O)(=O)NC(N2)C(Cl)Cl)N
InChi:	InChI=1S/C8H8Cl3N3O4S2/c9-3-1-4-6(2-5(3)19(12,15)16)20(17,18)14-8(13-4)7(10)11/h1-2,7-8,13-14H,(H2,12,15,16)/t8-/m1/s1
Definition date:	2009-08-10
Last modified:	2011-12-12
Identifier:	(3R)-6-chloro-3-(dichloromethyl)-3,4-dihydro-2H-1,2,4-benzothiadiazine-7-sulfonamide 1,1-dioxide

BA4

BA4
Name:	[[(3R,4R,5S,6R)-3-(butanoylamino)-4,5-dihydroxy-6-(hydroxymethyl)oxan-2-ylidene]amino] N-phenylcarbamate
Formula:	C17 H23 N3 O7
SMILES:	O=C(ON=C1/OC(CO)C(O)C(O)C1NC(=O)CCC)Nc2ccccc2
InChi:	InChI=1S/C17H23N3O7/c1-2-6-12(22)19-13-15(24)14(23)11(9-21)26-16(13)20-27-17(25)18-10-7-4-3-5-8-10/h3-5,7-8,11,13-15,21,23-24H,2,6,9H2,1H3,(H,18,25)(H,19,22)/b20-16-/t11-,13-,14-,15-/m1/s1
Synonyms:	N-butyryl-PUGNAc
Definition date:	2009-04-15
Last modified:	2011-12-12
Identifier:	N-[(2Z,3R,4R,5S,6R)-4,5-dihydroxy-6-(hydroxymethyl)-2-{[(phenylcarbamoyl)oxy]imino}tetrahydro-2H-pyran-3-yl]butanamide (non-preferred name)

FDC

FDC
Name:	IRON(III) DICITRATE
Formula:	C12 H22 Fe2 O14
SMILES:	[O][CH]1O\|[Fe]23\|4\|O[CH]([O])CC5(C[CH]([O])O\|[Fe]\|67(\|O[CH]([O])CC(C1)([CH]([O])O\|6)[OH]27)[OH]35)[CH]([O])O\|4
InChi:	InChI=1/2C6H14O7.2Fe/c2*7-3(8)1-6(13,5(11)12)2-4(9)10
Synonyms:	DINUCLEAR FERRIC CITRATE
Definition date:	2002-01-07
Last modified:	2011-12-12

CPP

CPP
Name:	2-CYCLOPROPYLMETHYLENEPROPANAL
Formula:	C7 H12 O
SMILES:	O=CC(C)CC1CC1
InChi:	InChI=1S/C7H12O/c1-6(5-8)4-7-2-3-7/h5-7H,2-4H2,1H3/t6-/m0/s1
Definition date:	1999-07-08
Last modified:	2011-12-12
Identifier:	(2S)-3-cyclopropyl-2-methylpropanal

CB2

CB2
Name:	PHOSPHORIC ACID MONO-[5-(4-AMINO-5-BROMO-2-OXO-2H-PYRIMIDIN-1-YL)-3,4-DIHYDROXY-TETRAHYDRO-FURAN-2-YLMETHYL] ESTER
Formula:	C9 H13 Br N3 O8 P
SMILES:	BrC=1C(=NC(=O)N(C=1)C2OC(C(O)C2O)COP(=O)(O)O)N
InChi:	InChI=1S/C9H13BrN3O8P/c10-3-1-13(9(16)12-7(3)11)8-6(15)5(14)4(21-8)2-20-22(17,18)19/h1,4-6,8,14-15H,2H2,(H2,11,12,16)(H2,17,18,19)/t4-,5-,6+,8-/m1/s1
Synonyms:	5-BROMO-CYTIDINEMONOPHOSPHATE
Definition date:	2003-05-19
Last modified:	2011-12-12
Identifier:	4-amino-5-bromo-1-(5-O-phosphono-beta-D-arabinofuranosyl)pyrimidin-2(1H)-one

CHA

CHA
Name:	1-HYDROXY-2-AMINO-3-CYCLOHEXYLPROPANE
Formula:	C9 H19 N O
SMILES:	OCC(N)CC1CCCCC1
InChi:	InChI=1S/C9H19NO/c10-9(7-11)6-8-4-2-1-3-5-8/h8-9,11H,1-7,10H2/t9-/m0/s1
Definition date:	1999-07-08
Last modified:	2011-12-12
Identifier:	(2S)-2-amino-3-cyclohexylpropan-1-ol

CLE

CLE
Name:	LEUCINE AMIDE
Formula:	C6 H14 N2 O
SMILES:	O=C(N)C(N)CC(C)C
InChi:	InChI=1S/C6H14N2O/c1-4(2)3-5(7)6(8)9/h4-5H,3,7H2,1-2H3,(H2,8,9)/t5-/m0/s1
Definition date:	1999-10-12
Last modified:	2011-12-12
Identifier:	L-leucinamide

FRF

FRF
Name:	PHE-REDUCED-PHE
Formula:	C18 H22 N2 O2
SMILES:	O=C(O)C(NCC(N)Cc1ccccc1)Cc2ccccc2
InChi:	InChI=1S/C18H22N2O2/c19-16(11-14-7-3-1-4-8-14)13-20-17(18(21)22)12-15-9-5-2-6-10-15/h1-10,16-17,20H,11-13,19H2,(H,21,22)/t16-,17-/m0/s1
Definition date:	2002-02-27
Last modified:	2011-12-12
Identifier:	N-[(2S)-2-amino-3-phenylpropyl]-L-phenylalanine

AB5

AB5
Name:	2(S)-AMINO-6-BORONOHEXANOIC ACID
Formula:	C6 H16 B N O5
SMILES:	O=C(O)C(CCCC[B-](O)(O)O)[NH3+]
InChi:	InChI=1S/C6H15BNO5/c8-5(6(9)10)3-1-2-4-7(11,12)13/h5,11-13H,1-4,8H2,(H,9,10)/q-1/p+1/t5-/m0/s1
Definition date:	2005-08-26
Last modified:	2011-12-12
Identifier:	[(5S)-5-ammonio-5-carboxypentyl](trihydroxy)borate(1-)

NYC

NYC
Name:	[(4E)-2-[(1R,2S)-1-AMINO-2-HYDROXYPROPYL]-4-(1H-INDOL-3-YLMETHYLENE)-5-OXO-4,5-DIHYDRO-1H-IMIDAZOL-1-YL]ACETIC ACID
Formula:	C17 H18 N4 O4
SMILES:	O=C1N(C(=N/C1=Cc3c2ccccc2nc3)C(N)C(O)C)CC(=O)O
InChi:	InChI=1S/C17H18N4O4/c1-9(22)15(18)16-20-13(17(25)21(16)8-14(23)24)6-10-7-19-12-5-3-2-4-11(10)12/h2-7,9,15,19,22H,8,18H2,1H3,(H,23,24)/b13-6-/t9-,15+/m1/s1
Definition date:	2003-04-11
Last modified:	2011-12-12
Identifier:	[(4Z)-2-[(1R,2R)-1-amino-2-hydroxypropyl]-4-(1H-indol-3-ylmethylidene)-5-oxo-4,5-dihydro-1H-imidazol-1-yl]acetic acid

LYW

LYW
Name:	1-AMINO-1-CARBONYL PENTANE
Formula:	C6 H13 N O
SMILES:	O=CC(N)CCCC
InChi:	InChI=1S/C6H13NO/c1-2-3-4-6(7)5-8/h5-6H,2-4,7H2,1H3/t6-/m0/s1
Definition date:	1999-07-08
Last modified:	2011-12-12
Identifier:	(2S)-2-aminohexanal

ILG

ILG
Name:	GLUTAMYL GROUP
Formula:	C5 H10 N O3
SMILES:	O=CCCC(C(=O)O)[NH3+]
InChi:	InChI=1S/C5H9NO3/c6-4(5(8)9)2-1-3-7/h3-4H,1-2,6H2,(H,8,9)/p+1/t4-/m0/s1
Definition date:	1999-07-08
Last modified:	2011-12-12
Identifier:	(1S)-1-carboxy-4-oxobutan-1-aminium

IP3

IP3
Name:	1-HYDROXY-3-METHYLBUTANE
Formula:	C5 H12 O
SMILES:	OCCC(C)C
InChi:	InChI=1S/C5H12O/c1-5(2)3-4-6/h5-6H,3-4H2,1-2H3
Definition date:	1999-07-08
Last modified:	2011-12-12
Identifier:	3-methylbutan-1-ol

IP4

IP4
Name:	1-METHYL-2-OXY-5,5-DIMETHYL PYRROLIDINE
Formula:	C7 H13 N O
SMILES:	O=C1N(C)C(C)(C)CC1
InChi:	InChI=1S/C7H13NO/c1-7(2)5-4-6(9)8(7)3/h4-5H2,1-3H3
Definition date:	1999-07-08
Last modified:	2011-12-12
Identifier:	1,5,5-trimethylpyrrolidin-2-one

PHC

PHC
Name:	N-METHYL-N-(METHYLBENZYL)FORMAMIDE
Formula:	C10 H13 N O
SMILES:	O=CN(C(c1ccccc1)C)C
InChi:	InChI=1S/C10H13NO/c1-9(11(2)8-12)10-6-4-3-5-7-10/h3-9H,1-2H3/t9-/m0/s1
Definition date:	1999-07-08
Last modified:	2011-12-12
Identifier:	N-methyl-N-[(1S)-1-phenylethyl]formamide

PPP

PPP
Name:	3-PHENYL-1,2-PROPANDIOL
Formula:	C9 H12 O2
SMILES:	OC(Cc1ccccc1)CO
InChi:	InChI=1S/C9H12O2/c10-7-9(11)6-8-4-2-1-3-5-8/h1-5,9-11H,6-7H2/t9-/m0/s1
Definition date:	1999-07-08
Last modified:	2011-12-12
Identifier:	(2S)-3-phenylpropane-1,2-diol

PR0

PR0
Name:	3(S)-AMINO-4-PHENYL-BUTAN-2(R)-OL
Formula:	C10 H15 N O
SMILES:	OC(C(N)Cc1ccccc1)C
InChi:	InChI=1S/C10H15NO/c1-8(12)10(11)7-9-5-3-2-4-6-9/h2-6,8,10,12H,7,11H2,1H3/t8-,10+/m1/s1
Definition date:	2001-02-26
Last modified:	2011-12-12
Identifier:	(2R,3S)-3-amino-4-phenylbutan-2-ol

PTC

PTC
Name:	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:	2001-11-13
Last modified:	2011-12-12
Identifier:	(1R,2R,3S)-2-(methylcarbamoyl)-3-[4-(phosphonooxy)phenyl]cyclopropanecarboxylic acid

MMR

MMR
Name:	methyl 2-(acetylamino)-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:	1-O-METHYL-N-ACETYL-MURAMIC ACID
Definition date:	2007-05-16
Last modified:	2011-12-12
Identifier:	methyl 2-(acetylamino)-3-O-[(1R)-1-carboxyethyl]-2-deoxy-beta-D-glucopyranoside

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