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ZNO

ZNO
Name:	ZINC ION, 2 WATERS COORDINATED
Formula:	H4 O2 Zn
SMILES:	O\|[Zn++]\|O
InChi:	InChI=1/2H2O.Zn/h2*1H2
Definition date:	1999-07-08
Last modified:	2008-10-14

LLA

LLA
Name:	L-2-HYDROXY-3-PHENYL-PROPIONIC ACID
Formula:	C9 H10 O3
SMILES:	O=C(O)C(O)Cc1ccccc1
InChi:	InChI=1/C9H10O3/c10-8(9(11)12)6-7-4-2-1-3-5-7/h1-5,8,10H,6H2,(H,11,12)/t8-/m0/s1/f/h11H
Definition date:	1999-07-27
Last modified:	2008-10-14
Identifier:	(2S)-2-hydroxy-3-phenylpropanoic acid

LOF

LOF
Name:	3-PHENYL-LACTIC ACID
Formula:	C9 H10 O3
SMILES:	O=C(O)C(O)Cc1ccccc1
InChi:	InChI=1/C9H10O3/c10-8(9(11)12)6-7-4-2-1-3-5-7/h1-5,8,10H,6H2,(H,11,12)/t8-/m0/s1/f/h11H
Definition date:	1999-07-08
Last modified:	2008-10-14
Identifier:	(2S)-2-hydroxy-3-phenylpropanoic acid

MAM

MAM
Name:	1-O-METHYL-ALPHA-D-MANNOSE
Formula:	C7 H14 O6
SMILES:	OC1C(O)C(O)C(OC1OC)CO
InChi:	InChI=1/C7H14O6/c1-12-7-6(11)5(10)4(9)3(2-8)13-7/h3-11H,2H2,1H3/t3-,4-,5+,6+,7+/m1/s1
Definition date:	2002-01-30
Last modified:	2008-10-14
Identifier:	methyl alpha-D-mannopyranoside

1NA

1NA
Name:	N-ACETYL-O-METHYL-D-GLUCOSAMINE
Formula:	C9 H17 N O6
SMILES:	O=C(NC1C(O)C(O)C(OC1OC)CO)C
InChi:	InChI=1/C9H17NO6/c1-4(12)10-6-8(14)7(13)5(3-11)16-9(6)15-2/h5-9,11,13-14H,3H2,1-2H3,(H,10,12)/t5-,6-,7-,8-,9-/m1/s1/f/h10H
Synonyms:	1NA
Definition date:	2000-10-20
Last modified:	2008-10-14
Identifier:	methyl 2-(acetylamino)-2-deoxy-beta-D-glucopyranoside

MDG

MDG
Name:	7N-METHYL-8-HYDROGUANOSINE-5'-DIPHOSPHATE
Formula:	C11 H19 N5 O11 P2
SMILES:	O=P(O)(O)OP(=O)(O)OCC3OC(N1C=2N=C(N)NC(=O)C=2N(C1)C)C(O)C3O
InChi:	InChI=1/C11H19N5O11P2/c1-15-3-16(8-5(15)9(19)14-11(12)13-8)10-7(18)6(17)4(26-10)2-25-29(23,24)27-28(20,21)22/h4,6-7,10,17-18H,2-3H2,1H3,(H,23,24)(H2,20,21,22)(H3,12,13,14,19)/t4-,6-,7-,10-/m1/s1/f/h14,20-21,23H,12H2
Definition date:	1999-07-08
Last modified:	2008-10-14
Identifier:	7-methylguanosine 5'-(trihydrogen diphosphate)

1PY

1PY
Name:	2-OXO-3-PHENYLPROPIONIC ACID
Formula:	C9 H8 O3
SMILES:	O=C(C(=O)O)Cc1ccccc1
InChi:	InChI=1/C9H8O3/c10-8(9(11)12)6-7-4-2-1-3-5-7/h1-5H,6H2,(H,11,12)/f/h11H
Definition date:	1999-07-08
Last modified:	2008-10-14
Identifier:	2-oxo-3-phenylpropanoic acid

MFA

MFA
Name:	ALPHA-L-1-METHYL-FUCOSE
Formula:	C7 H14 O5
SMILES:	OC1C(O)C(O)C(OC1OC)C
InChi:	InChI=1/C7H14O5/c1-3-4(8)5(9)6(10)7(11-2)12-3/h3-10H,1-2H3/t3-,4+,5+,6-,7+/m0/s1
Definition date:	2002-02-08
Last modified:	2008-10-14
Identifier:	methyl 6-deoxy-alpha-L-galactopyranoside

MGA

MGA
Name:	BETA-METHYL-D-GALACTOSIDE
Formula:	C7 H14 O6
SMILES:	OC1C(O)C(O)C(OC1OC)CO
InChi:	InChI=1/C7H14O6/c1-12-7-6(11)5(10)4(9)3(2-8)13-7/h3-11H,2H2,1H3/t3-,4+,5+,6-,7-/m1/s1
Definition date:	1999-07-08
Last modified:	2008-10-14
Identifier:	methyl beta-D-galactopyranoside

MOL

MOL
Name:	3-AMINO-3-BENZYL-[4.3.0]BICYCLO-1,6-DIAZANONAN-2-ONE
Formula:	C15 H19 N3 O2
SMILES:	O=CC2N1C(=O)C(N)(CCN1CC2)Cc3ccccc3
InChi:	InChI=1/C15H19N3O2/c16-15(10-12-4-2-1-3-5-12)7-9-17-8-6-13(11-19)18(17)14(15)20/h1-5,11,13H,6-10,16H2/t13-,15+/m0/s1
Definition date:	1999-07-08
Last modified:	2008-10-14
Identifier:	(1S,7S)-7-amino-7-benzyl-8-oxohexahydro-1H-pyrazolo[1,2-a]pyridazine-1-carbaldehyde

NAH

NAH
Name:	NICOTINAMIDE-ADENINE-DINUCLEOTIDE
Formula:	C21 H27 N7 O14 P2
SMILES:	NC(=O)c1ccc[n+](c1)[CH]2O[CH](CO[P]([O-])(=O)O[P](O)(=O)OC[CH]3O[CH]([CH](O)[CH]3O)n4cnc5c(N)ncnc45)[CH](O)[CH]2O
InChi:	InChI=1/C21H27N7O14P2/c22-17-12-19(25-7-24-17)28(8-26-12)21-16(32)14(30)11(41-21)6-39-44(36,37)42-43(34,35)38-5-10-13(29)15(31)20(40-10)27-3-1-2-9(4-27)18(23)33/h1-4,7-8,10-11,13-16,20-21,29-32H,5-6H2,(H5-,22,23,24,25,33,34,35,36,37)/t10-,11-,13-,14-,15-,16-,20-,21-/m1/s1/f/h36H,22-23H2
Definition date:	1999-07-08
Last modified:	2008-10-14
Identifier:	[(2R,3S,4R,5R)-5-(3-aminocarbonylpyridin-1-ium-1-yl)-3,4-dihydroxy-oxolan-2-yl]methyl [[(2R,3S,4R,5R)-5-(6-aminopurin-9-yl)-3,4-dihydroxy-oxolan-2-yl]methoxy-hydroxy-phosphoryl] phosphate

450

450
Name:	{[4-R(-4-ALPHA,5-ALPHA,6-BETA,7-BETA)]-HEXAHYDRO-5,6-BIS(HYDROXY)-1,3-BIS([3-AMINO)PHENYL]METHYL-4,7-BIA(PHENYLMETHYL)-2H-1,3-DIAZEPINONE
Formula:	C33 H38 N4 O3
SMILES:	OC2C(N(Cc1cccc(N)c1)C(O)N(C(C2O)Cc3ccccc3)Cc4cccc(N)c4)Cc5ccccc5
InChi:	InChI=1/C33H38N4O3/c34-27-15-7-13-25(17-27)21-36-29(19-23-9-3-1-4-10-23)31(38)32(39)30(20-24-11-5-2-6-12-24)37(33(36)40)22-26-14-8-16-28(35)18-26/h1-18,29-33,38-40H,19-22,34-35H2/t29-,30-,31+,32+/m1/s1
Synonyms:	DMP450
Definition date:	1999-07-08
Last modified:	2008-10-14
Identifier:	(4R,5S,6S,7R)-1,3-bis(3-aminobenzyl)-4,7-dibenzyl-1,3-diazepane-2,5,6-triol

NC2

NC2
Name:	NITROCEFIN ACYL-SERINE
Formula:	C24 H23 N5 O11 S2
SMILES:	O=C(O)C(N)COC(=O)C(NC(=O)Cc1sccc1)C2SCC(=C(N2)C(=O)O)C=Cc3ccc([N+]([O-])=O)cc3[N+]([O-])=O
InChi:	InChI=1/C24H23N5O11S2/c25-16(22(31)32)10-40-24(35)20(26-18(30)9-15-2-1-7-41-15)21-27-19(23(33)34)13(11-42-21)4-3-12-5-6-14(28(36)37)8-17(12)29(38)39/h1-8,16,20-21,27H,9-11,25H2,(H,26,30)(H,31,32)(H,33,34)/b4-3+/t16-,20-,21+/m0/s1/f/h26,31,33H
Definition date:	2004-12-16
Last modified:	2008-10-14
Identifier:	(2R)-2-{(1R)-2-[(2S)-2-amino-2-carboxyethoxy]-2-oxo-1-[(thiophen-2-ylacetyl)amino]ethyl}-5-[(E)-2-(2,4-dinitrophenyl)ethenyl]-3,6-dihydro-2H-1,3-thiazine-4-carboxylic acid

NED

NED
Name:	2,6-DIAMINO-2,6-DIDEOXY-ALPHA-D-GLUCOPYRANOSE
Formula:	C6 H16 N2 O4
SMILES:	OC1C(O)C(OC(O)C1[NH3+])C[NH3+]
InChi:	InChI=1/C6H14N2O4/c7-1-2-4(9)5(10)3(8)6(11)12-2/h2-6,9-11H,1,7-8H2/p+2/t2-,3+,4+,5+,6-/m0/s1/fC6H16N2O4/h7-8H/q+2
Definition date:	1999-07-08
Last modified:	2008-10-14
Identifier:	2,6-diammonio-2,6-dideoxy-beta-L-idopyranose

NEW

NEW
Name:	3,3',5,5'-TETRACHLOROBIPHENYL-4,4'-DIOL
Formula:	C12 H6 Cl4 O2
SMILES:	Clc1cc(cc(Cl)c1O)c2cc(Cl)c(O)c(Cl)c2
InChi:	InChI=1/C12H6Cl4O2/c13-7-1-5(2-8(14)11(7)17)6-3-9(15)12(18)10(16)4-6/h1-4,17-18H
Definition date:	2006-02-24
Last modified:	2008-10-14
Identifier:	3,3',5,5'-tetrachlorobiphenyl-4,4'-diol

NFB

NFB
Name:	NI-FE ACTIVE CENTER B-FORM
Formula:	C3 H2 Fe N Ni O3
SMILES:	[Ni]O[Fe](C=O)(C=O)C#N
InChi:	InChI=1/CN.2CHO.Fe.Ni.O/c3*1-2
Definition date:	2004-12-17
Last modified:	2008-10-14
Identifier:	(cyano-dimethanoyl-ferrio)oxynickel

NGL

NGL
Name:	ACETYLGALACTOSAMINE-4-SULFATE
Formula:	C8 H15 N O9 S
SMILES:	O=S(=O)(O)OC1C(OC(O)C(NC(=O)C)C1O)CO
InChi:	InChI=1/C8H15NO9S/c1-3(11)9-5-6(12)7(18-19(14,15)16)4(2-10)17-8(5)13/h4-8,10,12-13H,2H2,1H3,(H,9,11)(H,14,15,16)/t4-,5-,6-,7+,8-/m1/s1/f/h9,14H
Definition date:	1999-07-08
Last modified:	2008-10-14
Identifier:	2-(acetylamino)-2-deoxy-4-O-sulfo-beta-D-galactopyranose

NIV

NIV
Name:	NEVIRAPINE
Formula:	C15 H14 N4 O
SMILES:	O=C2Nc1c(ccnc1N(c3ncccc23)C4CC4)C
InChi:	InChI=1/C15H14N4O/c1-9-6-8-17-14-12(9)18-15(20)11-3-2-7-16-13(11)19(14)10-4-5-10/h2-3,6-8,10H,4-5H2,1H3,(H,18,20)/f/h18H
Definition date:	1999-07-08
Last modified:	2008-10-14
Identifier:	11-cyclopropyl-4-methyl-5,11-dihydro-6H-dipyrido[3,2-b:2',3'-e][1,4]diazepin-6-one

119

119
Name:	TETRAPHENYLPHOSPHONIUM ION
Formula:	C24 H20 P
SMILES:	c1c(cccc1)[P+](c2ccccc2)(c3ccccc3)c4ccccc4
InChi:	InChI=1/C24H20P/c1-5-13-21(14-6-1)25(22-15-7-2-8-16-22,23-17-9-3-10-18-23)24-19-11-4-12-20-24/h1-20H/q+1
Definition date:	2000-05-09
Last modified:	2008-10-14
Identifier:	tetraphenylphosphonium

NNS

NNS
Name:	4-ACETYL-AMINOPHENOL
Formula:	C8 H9 N O2
SMILES:	O=C(Nc1ccc(O)cc1)C
InChi:	InChI=1/C8H9NO2/c1-6(10)9-7-2-4-8(11)5-3-7/h2-5,11H,1H3,(H,9,10)/f/h9H
Synonyms:	PARACETAMOL
Definition date:	2000-02-15
Last modified:	2008-10-14
Identifier:	N-(4-hydroxyphenyl)acetamide

13H

13H
Name:	(9Z,11E,13S)-13-HYDROXYOCTADECA-9,11-DIENOIC ACID
Formula:	C18 H32 O3
SMILES:	O=C(O)CCCCCCC/C=CC=CC(O)CCCCC
InChi:	InChI=1/C18H32O3/c1-2-3-11-14-17(19)15-12-9-7-5-4-6-8-10-13-16-18(20)21/h7,9,12,15,17,19H,2-6,8,10-11,13-14,16H2,1H3,(H,20,21)/b9-7-,15-12+/t17-/m0/s1/f/h20H
Definition date:	2008-04-29
Last modified:	2008-10-14
Identifier:	(9Z,11E,13S)-13-hydroxyoctadeca-9,11-dienoic acid

OET

OET
Name:	ETHYL GROUP
Formula:	C2 H5
SMILES:	CC
InChi:	InChI=1/C2H6/c1-2/h1-2H3
Definition date:	1999-07-08
Last modified:	2008-10-14
Identifier:	ethane

BAR

BAR
Name:	8-HYDROXY-2-OXA-BICYCLO[3.3.1]NON-6-ENE-3,5-DICARBOXYLIC ACID
Formula:	C10 H12 O6
SMILES:	O=C(O)C1OC2C(O)C=CC(C(=O)O)(C1)C2
InChi:	InChI=1/C10H12O6/c11-5-1-2-10(9(14)15)3-6(5)16-7(4-10)8(12)13/h1-2,5-7,11H,3-4H2,(H,12,13)(H,14,15)/t5-,6-,7+,10+/m1/s1/f/h12,14H
Definition date:	1999-07-08
Last modified:	2008-10-14
Identifier:	(1R,3S,5S,8R)-8-hydroxy-2-oxabicyclo[3.3.1]non-6-ene-3,5-dicarboxylic acid

BDN

BDN
Name:	BENZAMIDINE
Formula:	C7 H8 N2
SMILES:	[N@H]=C(N)c1ccccc1
InChi:	InChI=1/C7H8N2/c8-7(9)6-4-2-1-3-5-6/h1-5H,(H3,8,9)/f/h8H,9H2
Definition date:	1999-07-08
Last modified:	2008-10-14
Identifier:	benzenecarboximidamide

PA4

PA4
Name:	PAROMOMYCIN (RING 4)
Formula:	C6 H14 N2 O4
SMILES:	OC1C(O)C(OC(O)C1N)CN
InChi:	InChI=1/C6H14N2O4/c7-1-2-4(9)5(10)3(8)6(11)12-2/h2-6,9-11H,1,7-8H2/t2-,3+,4+,5+,6-/m0/s1
Definition date:	1999-07-08
Last modified:	2008-10-14
Identifier:	2,6-diamino-2,6-dideoxy-beta-L-idopyranose

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