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HAC

HAC
Name:	BETA-CYCLOHEXYL-ALANINE
Formula:	C9 H17 N O2
SMILES:	O=C(O)C(N)CC1CCCCC1
InChi:	InChI=1/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/f/h11H
Definition date:	1999-07-08
Last modified:	2009-01-07
Identifier:	3-cyclohexyl-L-alanine

DCG

DCG
Name:	2'-DEOXY-GUANOSINE-5'-MONOPHOSPHATE
Formula:	C10 H14 N5 O7 P
SMILES:	O=C1c2ncn(c2N=C(N)N1)C3OC(C(O)C3)COP(=O)(O)O
InChi:	InChI=1/C10H14N5O7P/c11-10-13-8-7(9(17)14-10)12-3-15(8)6-1-4(16)5(22-6)2-21-23(18,19)20/h3-6,16H,1-2H2,(H2,18,19,20)(H3,11,13,14,17)/t4-,5+,6+/m0/s1/f/h14,18-19H,11H2
Definition date:	1999-07-08
Last modified:	2009-01-07
Identifier:	2'-deoxy-5'-guanylic acid

DHU

DHU
Name:	5,6-DIHYDROURIDINE-5'-PHOSPHATE
Formula:	C9 H15 N2 O9 P
SMILES:	O=C1N(CCC(=O)N1)C2OC(C(O)C2O)COP(=O)(O)O
InChi:	InChI=1/C9H15N2O9P/c12-5-1-2-11(9(15)10-5)8-7(14)6(13)4(20-8)3-19-21(16,17)18/h4,6-8,13-14H,1-3H2,(H,10,12,15)(H2,16,17,18)/t4-,6-,7-,8-/m1/s1/f/h10,16-17H
Definition date:	1999-07-08
Last modified:	2009-01-07
Identifier:	5'-uridylic acid

B1F

B1F
Name:	PHENYLALANINE BORONIC ACID
Formula:	C8 H12 B N O2
SMILES:	OB(O)C(N)Cc1ccccc1
InChi:	InChI=1/C8H12BNO2/c10-8(9(11)12)6-7-4-2-1-3-5-7/h1-5,8,11-12H,6,10H2/t8-/m0/s1
Definition date:	1999-07-08
Last modified:	2009-01-07
Identifier:	[(1R)-1-amino-2-phenylethyl]boronic acid

T
Name:	THYMIDINE-5'-MONOPHOSPHATE
Formula:	C10 H15 N2 O8 P
SMILES:	O=C1NC(=O)N(C=C1C)C2OC(C(O)C2)COP(=O)(O)O
InChi:	InChI=1/C10H15N2O8P/c1-5-3-12(10(15)11-9(5)14)8-2-6(13)7(20-8)4-19-21(16,17)18/h3,6-8,13H,2,4H2,1H3,(H,11,14,15)(H2,16,17,18)/t6-,7+,8+/m0/s1/f/h11,16-17H
Definition date:	1999-07-08
Last modified:	2008-10-15
Identifier:	5'-thymidylic acid

ZH3

ZH3
Name:	ZINC TRIHYDROXIDE
Formula:	H3 O3 Zn
SMILES:	O[Zn-](O)O
InChi:	InChI=1/3H2O.Zn/h3*1H2
Definition date:	2005-01-20
Last modified:	2008-10-14
Identifier:	trihydroxyzincate(1-)

SPG

SPG
Name:	2-DEAMINO-6-DEOXY-6THIOPHOSPHITE-5'-PHOSPHATE GUANOSINE
Formula:	C10 H15 N4 O10 P2 S
SMILES:	O=P(O)(O)Sc1c2ncn(c2nc[nH+]1)C3OC(C(O)C3O)COP(=O)(O)O
InChi:	InChI=1/C10H14N4O10P2S/c15-6-4(1-23-25(17,18)19)24-10(7(6)16)14-3-13-5-8(14)11-2-12-9(5)27-26(20,21)22/h2-4,6-7,10,15-16H,1H2,(H2,17,18,19)(H2,20,21,22)/p+1/t4-,6-,7-,10-/m1/s1/fC10H15N4O10P2S/h12,17-18,20-21H/q+1
Definition date:	1999-07-08
Last modified:	2008-10-14
Identifier:	9-(5-O-phosphono-beta-D-ribofuranosyl)-6-(phosphonosulfanyl)-9H-purin-1-ium

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

YH
Name:	YTTRIUM ION, 1 WATER COORDINATED
Formula:	H2 O Y
SMILES:	[OH2][Y+2]
Definition date:	1999-11-12
Last modified:	2008-10-14

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

STO

STO
Name:	STAUROSPORINE
Formula:	C28 H26 N4 O3
SMILES:	O=C5NCc4c2c3n(c1ccccc12)C8(OC(n6c3c(c45)c7ccccc67)CC(NC)C8OC)C
InChi:	InChI=1/C28H26N4O3/c1-28-26(34-3)17(29-2)12-20(35-28)31-18-10-6-4-8-14(18)22-23-16(13-30-27(23)33)21-15-9-5-7-11-19(15)32(28)25(21)24(22)31/h4-11,17,20,26,29H,12-13H2,1-3H3,(H,30,33)/t17-,20-,26-,28+/m1/s1/f/h30H
Definition date:	1999-07-08
Last modified:	2008-10-14
Identifier:	(5S,6R,7R,9R)-6-methoxy-5-methyl-7-(methylamino)-6,7,8,9,15,16-hexahydro-5H,14H-5,9-epoxy-4b,9a,15-triazadibenzo[b,h]cyclonona[1,2,3,4-jkl]cyclopenta[e]-as-indacen-14-one

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

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

ZO3

ZO3
Name:	ZINC ION, 3 WATERS COORDINATED
Formula:	H6 O3 Zn
SMILES:	O\|[Zn++](\|O)\|O
InChi:	InChI=1/3H2O.Zn/h3*1H2
Definition date:	2000-05-02
Last modified:	2008-10-14

UIC

UIC
Name:	(3AS,5R,6AR)-HEXAHYDRO-2H-CYCLOPENTA[B]FURAN-5-YL {(1S,2R)-1-BENZYL-2-HYDROXY-3-[{[4-(HYDROXYMETHYL)PHENYL]SULFONYL}(ISOBUTYL)AMINO]PROPYL}CARBAMATE
Formula:	C29 H40 N2 O7 S
SMILES:	O=S(=O)(c1ccc(cc1)CO)N(CC(C)C)CC(O)C(NC(=O)OC3CC2C(OCC2)C3)Cc4ccccc4
InChi:	InChI=1/C29H40N2O7S/c1-20(2)17-31(39(35,36)25-10-8-22(19-32)9-11-25)18-27(33)26(14-21-6-4-3-5-7-21)30-29(34)38-24-15-23-12-13-37-28(23)16-24/h3-11,20,23-24,26-28,32-33H,12-19H2,1-2H3,(H,30,34)/t23-,24+,26-,27+,28+/m0/s1/f/h30H
Definition date:	2006-05-23
Last modified:	2008-10-14
Identifier:	(3aS,5R,6aR)-hexahydro-2H-cyclopenta[b]furan-5-yl {(1S,2R)-1-benzyl-2-hydroxy-3-[{[4-(hydroxymethyl)phenyl]sulfonyl}(2-methylpropyl)amino]propyl}carbamate

5SA

5SA
Name:	ACARBOSE DERIVED PENTASACCHARIDE
Formula:	C31 H53 N O23
SMILES:	O(C3C(=CC(NC2C(OC(OC1C(O)C(O)C(O)OC1CO)C(O)C2O)C)C(O)C3O)CO)C5OC(C(OC4OC(CO)C(O)C(O)C4O)C(O)C5O)CO
InChi:	InChI=1/C31H53NO23/c1-7-13(16(39)22(45)29(49-7)54-26-11(5-35)50-28(48)21(44)19(26)42)32-9-2-8(3-33)25(18(41)14(9)37)53-31-24(47)20(43)27(12(6-36)52-31)55-30-23(46)17(40)15(38)10(4-34)51-30/h2,7,9-48H,3-6H2,1H3/t7-,9+,10-,11-,12-,13-,14+,15-,16+,17+,18-,19-,20-,21-,22-,23-,24-,25-,26-,27-,28+,29-,30-,31-/m1/s1
Synonyms:	4-O-(4,6-DIDEOXY-4-{[4-[(4-O-ALPHA-D-ERYTHRO-HEXOPYRANOSYL-ALPHA-D-ERYTHRO-HEXOPYRANOSYL)OXY]-5,6-DIHYDROXY-3-(HYDROXYMETHYL)CYCLOHEX-2-EN-1-YL]AMINO}-BETA-D-LYXO-HEXOPYRANOSYL)-ALPHA-D-ARABINO-HEXOPYRANOSE
Definition date:	2004-09-15
Last modified:	2008-10-14
Identifier:	4-O-(4,6-dideoxy-4-{[(1S,4R,5R,6S)-4-[(4-O-alpha-D-glucopyranosyl-alpha-D-glucopyranosyl)oxy]-5,6-dihydroxy-3-(hydroxymethyl)cyclohex-2-en-1-yl]amino}-alpha-D-glucopyranosyl)-alpha-D-glucopyranose

PNL

PNL
Name:	PROPANAL
Formula:	C3 H6 O
SMILES:	O=CCC
InChi:	InChI=1/C3H6O/c1-2-3-4/h3H,2H2,1H3
Definition date:	1999-07-08
Last modified:	2008-10-14
Identifier:	propanal

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

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

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

0AT

0AT
Name:	2-(acetylamino)-2-deoxy-6-O-phosphono-alpha-D-glucopyranose
Formula:	C8 H16 N O9 P
SMILES:	O=P(O)(O)OCC1OC(O)C(NC(=O)C)C(O)C1O
InChi:	InChI=1/C8H16NO9P/c1-3(10)9-5-7(12)6(11)4(18-8(5)13)2-17-19(14,15)16/h4-8,11-13H,2H2,1H3,(H,9,10)(H2,14,15,16)/t4-,5-,6-,7-,8+/m1/s1/f/h9,14-15H
Definition date:	2007-11-11
Last modified:	2008-10-14
Identifier:	2-(acetylamino)-2-deoxy-6-O-phosphono-alpha-D-glucopyranose

PTP

PTP
Name:	THYMIDINE-3',5'-DIPHOSPHATE
Formula:	C10 H16 N2 O11 P2
SMILES:	O=C1NC(=O)N(C=C1C)C2OC(C(OP(=O)(O)O)C2)COP(=O)(O)O
InChi:	InChI=1/C10H16N2O11P2/c1-5-3-12(10(14)11-9(5)13)8-2-6(23-25(18,19)20)7(22-8)4-21-24(15,16)17/h3,6-8H,2,4H2,1H3,(H,11,13,14)(H2,15,16,17)(H2,18,19,20)/t6-,7+,8+/m0/s1/f/h11,15-16,18-19H
Definition date:	1999-07-08
Last modified:	2008-10-14
Identifier:	thymidine 3',5'-bis(dihydrogen phosphate)

R51

R51
Name:	5-O-phosphono-D-ribose
Formula:	C5 H11 O8 P
SMILES:	O=P(O)(O)OCC(O)C(O)C(O)C=O
InChi:	InChI=1/C5H11O8P/c6-1-3(7)5(9)4(8)2-13-14(10,11)12/h1,3-5,7-9H,2H2,(H2,10,11,12)/t3-,4+,5-/m0/s1/f/h10-11H
Definition date:	2008-06-11
Last modified:	2008-10-14
Identifier:	5-O-phosphono-D-ribose

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