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IOX

IOX
Name:	phenylmethanesulfonic acid
Formula:	C7 H8 O3 S
SMILES:	O=S(=O)(O)Cc1ccccc1
InChi:	InChI=1S/C7H8O3S/c8-11(9,10)6-7-4-2-1-3-5-7/h1-5H,6H2,(H,8,9,10)
Definition date:	2009-08-24
Last modified:	2010-06-23
Identifier:	phenylmethanesulfonic acid

RAW

RAW
Name:	beta,beta-caroten-4-one
Formula:	C40 H54 O
SMILES:	O=C2C(=C(C=CC(=CC=CC(=CC=CC=C(C=CC=C(C=CC1=C(C)CCCC1(C)C)C)C)C)C)C(C)(C)CC2)C
InChi:	InChI=1S/C40H54O/c1-30(18-13-20-32(3)23-25-36-34(5)22-15-28-39(36,7)8)16-11-12-17-31(2)19-14-21-33(4)24-26-37-35(6)38(41)27-29-40(37,9)10/h11-14,16-21,23-26H,15,22,27-29H2,1-10H3/b12-11+,18-13+,19-14+,25-23+,26-24+,30-16+,31-17+,32-20+,33-21+
Definition date:	2009-07-09
Last modified:	2010-04-07
Identifier:	beta,beta-caroten-4-one

HDP

HDP
Name:	[(1S,6S)-6-HYDROXY-4-(5-METHYL-2,4-DIOXO-3,4-DIHYDROPYRIMIDIN-1(2H)-YL)CYCLOHEX-2-EN-1-YL]METHYL DIHYDROGEN PHOSPHATE
Formula:	C12 H17 N2 O7 P
SMILES:	O=P(O)(O)OCC2C=CC(N1C=C(C(=O)NC1=O)C)CC2O
InChi:	InChI=1S/C12H17N2O7P/c1-7-5-14(12(17)13-11(7)16)9-3-2-8(10(15)4-9)6-21-22(18,19)20/h2-3,5,8-10,15H,4,6H2,1H3,(H,13,16,17)(H2,18,19,20)/t8-,9-,10+/m1/s1
Definition date:	2004-07-22
Last modified:	2010-03-30
Identifier:	[(1R,4S,6S)-6-hydroxy-4-(5-methyl-2,4-dioxo-3,4-dihydropyrimidin-1(2H)-yl)cyclohex-2-en-1-yl]methyl dihydrogen phosphate

DRT

DRT
Name:	2'-DEOXY-L-RIBO-FURANOSYL THYMINE-5'-MONOPHOSPHATE
Formula:	C10 H15 N2 O8 P
SMILES:	O=P(O)(O)OCC2OC(N1C(=O)NC(=O)C(=C1)C)CC2O
InChi:	InChI=1S/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+/m1/s1
Definition date:	2000-09-27
Last modified:	2010-03-30
Identifier:	1-(2-deoxy-5-O-phosphono-beta-L-erythro-pentofuranosyl)-5-methylpyrimidine-2,4(1H,3H)-dione

1ZT

1ZT
Name:	N-acetyl-L-cysteine
Formula:	C5 H9 N O3 S
SMILES:	O=C(NC(C(=O)O)CS)C
InChi:	InChI=1S/C5H9NO3S/c1-3(7)6-4(2-10)5(8)9/h4,10H,2H2,1H3,(H,6,7)(H,8,9)/t4-/m0/s1
Definition date:	2008-08-27
Last modified:	2010-03-29
Identifier:	N-acetyl-L-cysteine

6MC

6MC
Name:	CIS-N6-METHYL-DEOXY-ADENOSINE-5'-MONOPHOSPHATE
Formula:	C11 H16 N5 O6 P
SMILES:	O=P(O)(O)OCC3OC(n2cnc1c(ncnc12)NC)CC3O
InChi:	InChI=1S/C11H16N5O6P/c1-12-10-9-11(14-4-13-10)16(5-15-9)8-2-6(17)7(22-8)3-21-23(18,19)20/h4-8,17H,2-3H2,1H3,(H,12,13,14)(H2,18,19,20)/t6-,7+,8+/m0/s1
Definition date:	2003-03-19
Last modified:	2010-03-29
Identifier:	2'-deoxy-N-methyladenosine 5'-(dihydrogen phosphate)

PG7

PG7
Name:	((2R,3R,5R)-5-(2-AMINO-6-HYDROXY-9H-PURIN-9-YL)-3-HYDROXY-TETRAHYDROFURAN-2-YL)METHYL DIHYDROGEN PHOSPHATE
Formula:	C10 H14 N5 O7 P
SMILES:	O=P(O)(O)OCC3OC(n2cnc1c2nc(nc1O)N)CC3O
InChi:	InChI=1S/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
Definition date:	2005-07-11
Last modified:	2010-03-18
Identifier:	2-amino-9-(2-deoxy-5-O-phosphono-beta-D-erythro-pentofuranosyl)-9H-purin-6-ol

P2K

P2K
Name:	POLYETHYLENE GLYCOL PEG2000
Formula:	C12 H26 O7
SMILES:	O(CCO)CCOCCOCCOCCOCCO
InChi:	InChI=1S/C12H26O7/c13-1-3-15-5-7-17-9-11-19-12-10-18-8-6-16-4-2-14/h13-14H,1-12H2
Definition date:	2006-11-14
Last modified:	2010-03-08
Identifier:	3,6,9,12,15-pentaoxaheptadecane-1,17-diol

1ZD

1ZD
Name:	N-{(2S)-2-[(N-acetyl-L-threonyl-L-isoleucyl)amino]hexyl}-L-norleucyl-L-glutaminyl-N~5~-[amino(iminio)methyl]-L-ornithinamide
Formula:	C35 H68 N11 O8
SMILES:	O=C(NC(C(=O)NC(CCCC)CNC(C(=O)NC(C(=O)NC(C(=O)N)CCCNC(=[NH2+])N)CCC(=O)N)CCCC)C(C)CC)C(NC(=O)C)C(O)C
InChi:	InChI=1S/C35H67N11O8/c1-7-10-13-23(43-33(53)28(20(4)9-3)46-34(54)29(21(5)47)42-22(6)48)19-41-25(14-11-8-2)31(51)45-26(16-17-27(36)49)32(52)44-24(30(37)50)15-12-18-40-35(38)39/h20-21,23-26,28-29,41,47H,7-19H2,1-6H3,(H2,36,49)(H2,37,50)(H,42,48)(H,43,53)(H,44,52)(H,45,51)(H,46,54)(H4,38,39,40)/p+1/t20-,21+,23-,24-,25-,26-,28-,29-/m0/s1
Synonyms:	Peptide Inhibitor p2/NC
Definition date:	2008-08-22
Last modified:	2010-01-12
Identifier:	N-{(2S)-2-[(N-acetyl-L-threonyl-L-isoleucyl)amino]hexyl}-L-norleucyl-L-glutaminyl-N~5~-[amino(iminio)methyl]-L-ornithinamide

ASI

ASI
Name:	L-ISO-ASPARTATE
Formula:	C4 H6 N O4
SMILES:	[O-]C(=O)C(N)CC(=O)O
InChi:	InChI=1/C4H7NO4/c5-2(4(8)9)1-3(6)7/h2H,1,5H2,(H,6,7)(H,8,9)/p-1/t2-/m0/s1/fC4H6NO4/h6H/q-1
Definition date:	2000-01-21
Last modified:	2009-12-23
Identifier:	(2S)-2-amino-3-carboxypropanoate

INT

INT
Name:	[[PHENYLMETHYLOXY-CARBONYL]-ALANINYL]-VALINYL-[PHENYL-1-HYDROXYPROP-2-YL]-AMINE
Formula:	C25 H33 N3 O5
SMILES:	O=C(NC(Cc1ccccc1)CO)C(NC(=O)C(NC(=O)OCc2ccccc2)C)C(C)C
InChi:	InChI=1/C25H33N3O5/c1-17(2)22(24(31)27-21(15-29)14-19-10-6-4-7-11-19)28-23(30)18(3)26-25(32)33-16-20-12-8-5-9-13-20/h4-13,17-18,21-22,29H,14-16H2,1-3H3,(H,26,32)(H,27,31)(H,28,30)/t18-,21-,22-/m0/s1/f/h26-28H
Synonyms:	TL-3-093
Definition date:	1999-07-08
Last modified:	2009-12-09
Identifier:	N-[(benzyloxy)carbonyl]-L-alanyl-N-[(1S)-1-benzyl-2-hydroxyethyl]-L-valinamide

RAA

RAA
Name:	ALPHA-RHAMNOSE
Formula:	C6 H12 O5
SMILES:	OC1C(O)C(OC(O)C1O)C
InChi:	InChI=1S/C6H12O5/c1-2-3(7)4(8)5(9)6(10)11-2/h2-10H,1H3/t2-,3-,4+,5+,6+/m0/s1
Definition date:	2002-12-11
Last modified:	2009-12-08
Identifier:	6-deoxy-alpha-L-mannopyranose

GCR

GCR
Name:	GALLICHROME
Formula:	C28 H44 Ga N9 O13
SMILES:	CC1=O\|[Ga]2\|345\|O=C(C)[N](CCC[CH]6NC(=O)[CH](CCC[N](O2)C(=O\|3)C)NC(=O)[CH](CCC[N]1O4)NC(=O)CNC(=O)[CH](CO)NC(=O)CNC6=O)O5
InChi:	InChI=1S/C28H44N9O13.Ga/c1-16(39)35(48)10-4-7-19-25(44)29-14-24(43)32-22(15-38)26(45)30-13-23(42)31-20(8-5-11-36(49)17(2)40)27(46)34-21(28(47)33-19)9-6-12-37(50)18(3)41
Definition date:	2000-02-16
Last modified:	2009-11-02

CPO

CPO
Name:	COPROGEN
Formula:	C35 H53 Fe N6 O13
SMILES:	CC(=O)N[CH]1CCC[N]2O[Fe]3\|45(\|O=C(C=C(C)CCO)[N](CCC[CH]6NC(=O)[CH](CCC[N](O3)C(=O\|4)C=C(C)CCOC1=O)NC6=O)O5)\|O=C2C=C(C)CCO
InChi:	InChI=1S/C35H53N6O13.Fe/c1-23(11-17-42)20-30(45)39(51)14-5-8-27-33(48)38-28(34(49)37-27)9-6-15-40(52)32(47)22-25(3)13-19-54-35(50)29(36-26(4)44)10-7-16-41(53)31(46)21-24(2)12-18-43
Definition date:	2000-05-17
Last modified:	2009-11-02

6MT

6MT
Name:	TRANS-N6-METHYL-DEOXY-ADENOSINE-5'-MONOPHOSPHATE
Formula:	C11 H16 N5 O6 P
SMILES:	O=P(O)(O)OCC3OC(n2cnc1c(ncnc12)NC)CC3O
InChi:	InChI=1/C11H16N5O6P/c1-12-10-9-11(14-4-13-10)16(5-15-9)8-2-6(17)7(22-8)3-21-23(18,19)20/h4-8,17H,2-3H2,1H3,(H,12,13,14)(H2,18,19,20)/t6-,7+,8+/m0/s1/f/h12,18-19H
Definition date:	2003-03-19
Last modified:	2009-10-20
Identifier:	2'-deoxy-N-methyladenosine 5'-(dihydrogen phosphate)

AB7

AB7
Name:	ALPHA-AMINOBUTYRIC ACID
Formula:	C4 H9 N O2
SMILES:	O=C(O)C(N)CC
InChi:	InChI=1/C4H9NO2/c1-2-3(5)4(6)7/h3H,2,5H2,1H3,(H,6,7)/t3-/m0/s1/f/h6H
Definition date:	2005-11-02
Last modified:	2009-10-15
Identifier:	(2S)-2-aminobutanoic acid

I5C

I5C
Name:	5-IODO-2'-DEOXY-CYTIDINE-5'-MONOPHOSPHATE
Formula:	C9 H13 I N3 O7 P
SMILES:	IC=1C(=NC(=O)N(C=1)C2OC(C(O)C2)COP(=O)(O)O)N
InChi:	InChI=1/C9H13IN3O7P/c10-4-2-13(9(15)12-8(4)11)7-1-5(14)6(20-7)3-19-21(16,17)18/h2,5-7,14H,1,3H2,(H2,11,12,15)(H2,16,17,18)/t5-,6+,7+/m0/s1/f/h16-17H,11H2
Definition date:	2003-07-16
Last modified:	2009-10-06
Identifier:	2'-deoxy-5-iodocytidine 5'-(dihydrogen phosphate)

HYD

HYD
Name:	HYDROXY GROUP
Formula:	H O
SMILES:	[OH-]
InChi:	InChI=1/H2O/h1H2/p-1/fHO/h1h/q-1
Definition date:	1999-07-08
Last modified:	2009-09-29
Identifier:	hydroxide

4SR

4SR
Name:	(4S)-4-[3-(CYCLOPENTYLOXY)-4-METHOXYPHENYL]PYRROLIDIN-2-ONE
Formula:	C16 H21 N O3
SMILES:	O=C3NCC(c2cc(OC1CCCC1)c(OC)cc2)C3
InChi:	InChI=1/C16H21NO3/c1-19-14-7-6-11(12-9-16(18)17-10-12)8-15(14)20-13-4-2-3-5-13/h6-8,12-13H,2-5,9-10H2,1H3,(H,17,18)/t12-/m0/s1/f/h17H
Synonyms:	(S)-ROLIPRAM
Definition date:	2004-11-18
Last modified:	2009-09-29
Identifier:	(4R)-4-[3-(cyclopentyloxy)-4-methoxyphenyl]pyrrolidin-2-one

F2O

F2O
Name:	MU-OXO-DIIRON(III)
Formula:	Fe2 O
SMILES:	[Fe]O[Fe]
InChi:	InChI=1/2Fe.O/rFe2O/c1-3-2
Definition date:	2005-02-11
Last modified:	2009-09-21
Identifier:	ferriooxyiron

YF1

YF1
Name:	2,5-DIMETHYLPYRIMIDIN-4-AMINE
Formula:	C6 H9 N3
SMILES:	n1c(N)c(cnc1C)C
InChi:	InChI=1/C6H9N3/c1-4-3-8-5(2)9-6(4)7/h3H,1-2H3,(H2,7,8,9)/f/h7H2
Definition date:	2004-07-01
Last modified:	2009-09-15
Identifier:	2,5-dimethylpyrimidin-4-amine

HSU

HSU
Name:	beta-D-ribofuranose
Formula:	C5 H10 O5
SMILES:	OC1C(OC(O)C1O)CO
InChi:	InChI=1/C5H10O5/c6-1-2-3(7)4(8)5(9)10-2/h2-9H,1H2/t2-,3-,4-,5-/m1/s1
Definition date:	2009-01-16
Last modified:	2009-09-15
Identifier:	beta-D-ribofuranose

HSZ

HSZ
Name:	beta-D-xylopyranose
Formula:	C5 H10 O5
SMILES:	OC1C(O)COC(O)C1O
InChi:	InChI=1/C5H10O5/c6-2-1-10-5(9)4(8)3(2)7/h2-9H,1H2/t2-,3+,4-,5-/m1/s1
Definition date:	2009-01-16
Last modified:	2009-09-15
Identifier:	beta-D-xylopyranose

6CT

6CT
Name:	PHOSPHORIC ACID MONO-[5-HYDROXYMETHYL-2-METHYL-3-THYMINYL-CYCLOPENTYLMETHYL]ESTER GROUP
Formula:	C12 H19 N2 O7 P
SMILES:	O=P(O)(O)OCC2C(C(N1C=C(C(=O)NC1=O)C)CC2O)C
InChi:	InChI=1/C12H19N2O7P/c1-6-4-14(12(17)13-11(6)16)9-3-10(15)8(7(9)2)5-21-22(18,19)20/h4,7-10,15H,3,5H2,1-2H3,(H,13,16,17)(H2,18,19,20)/t7-,8-,9-,10-/m0/s1/f/h13,18-19H
Definition date:	1999-07-08
Last modified:	2009-09-15
Identifier:	[(1R,2S,3S,5S)-5-hydroxy-2-methyl-3-(5-methyl-2,4-dioxo-3,4-dihydropyrimidin-1(2H)-yl)cyclopentyl]methyl dihydrogen phosphate

B1P

B1P
Name:	2-DEOXY-5-O-PHOSPHONO-BETA-D-ERYTHRO-PENTOFURANOSE
Formula:	C5 H11 O7 P
SMILES:	O=P(OCC1OC(O)CC1O)(O)O
InChi:	InChI=1/C5H11O7P/c6-3-1-5(7)12-4(3)2-11-13(8,9)10/h3-7H,1-2H2,(H2,8,9,10)/t3-,4+,5+/m0/s1/f/h8-9H
Synonyms:	ABASIC DEOXYRIBOSE
Definition date:	2006-08-03
Last modified:	2009-09-10
Identifier:	2-deoxy-5-O-phosphono-beta-D-erythro-pentofuranose

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