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297

297
Name:	dodecane-1,12-diamine
Formula:	C12 H28 N2
SMILES:	NCCCCCCCCCCCCN
InChi:	InChI=1S/C12H28N2/c13-11-9-7-5-3-1-2-4-6-8-10-12-14/h1-14H2
Definition date:	2007-12-05
Last modified:	2011-06-04
Identifier:	dodecane-1,12-diamine

HEL

HEL
Name:	(2S,5R,6R)-6-{[(6R)-6-(GLYCYLAMINO)-7-OXIDO-7-OXOHEPTANOYL]AMINO}-3,3-DIMETHYL-7-OXO-4-THIA-1-AZABICYCLO[3.2.0]HEPTANE-2-CARBOXYLATE
Formula:	C17 H25 N4 O7 S
SMILES:	O=C([O-])C1N2C(=O)C(NC(=O)CCCCC(C([O-])=O)NC(=O)C[NH3+])C2SC1(C)C
InChi:	InChI=1S/C17H26N4O7S/c1-17(2)12(16(27)28)21-13(24)11(14(21)29-17)20-9(22)6-4-3-5-8(15(25)26)19-10(23)7-18/h8,11-12,14H,3-7,18H2,1-2H3,(H,19,23)(H,20,22)(H,25,26)(H,27,28)/p-1/t8-,11+,12-,14+/m0/s1
Definition date:	2003-07-11
Last modified:	2011-06-04
Identifier:	(2S,5R,6R)-6-({(6S)-6-[(ammonioacetyl)amino]-6-carboxylatohexanoyl}amino)-3,3-dimethyl-7-oxo-4-thia-1-azabicyclo[3.2.0]heptane-2-carboxylate

298

298
Name:	N-[(1E,2Z)-but-2-en-1-ylidene]-N'-[(2E)-but-2-en-1-ylidene]butane-1,4-diamine
Formula:	C12 H20 N2
SMILES:	N(=CC=CC)CCCC/N=C/C=CC
InChi:	InChI=1S/C12H20N2/c1-3-5-9-13-11-7-8-12-14-10-6-4-2/h3-6,9-10H,7-8,11-12H2,1-2H3/b5-3-,6-4+,13-9+,14-10?
Definition date:	2007-12-05
Last modified:	2011-06-04
Identifier:	N-[(1E,2Z)-but-2-en-1-ylidene]-N'-[(1Z,2E)-but-2-en-1-ylidene]butane-1,4-diamine

HEN

HEN
Name:	2-[(3-HYDROXY-2-METHYL-5-PHOSPHONOOXYMETHYL-PYRIDIN-4-YLMETHYL)-IMINO]-5-PHOSPHONO-PENT-3-ENOIC ACID
Formula:	C13 H18 N2 O10 P2
SMILES:	O=P(O)(O)C/C=C/C(=NCc1c(cnc(c1O)C)COP(=O)(O)O)C(=O)O
InChi:	InChI=1S/C13H18N2O10P2/c1-8-12(16)10(9(5-14-8)7-25-27(22,23)24)6-15-11(13(17)18)3-2-4-26(19,20)21/h2-3,5,16H,4,6-7H2,1H3,(H,17,18)(H2,19,20,21)(H2,22,23,24)/b3-2+,15-11+
Definition date:	2001-02-21
Last modified:	2011-06-04
Identifier:	(2E,3E)-2-[({3-hydroxy-2-methyl-5-[(phosphonooxy)methyl]pyridin-4-yl}methyl)imino]-5-phosphonopent-3-enoic acid

HEP

HEP
Name:	PHENYL[1-(N-SUCCINYLAMINO)PENTYL]PHOSPHONATE
Formula:	C15 H22 N O6 P
SMILES:	O=P(Oc1ccccc1)(O)C(NC(=O)CCC(=O)O)CCCC
InChi:	InChI=1S/C15H22NO6P/c1-2-3-9-14(16-13(17)10-11-15(18)19)23(20,21)22-12-7-5-4-6-8-12/h4-8,14H,2-3,9-11H2,1H3,(H,16,17)(H,18,19)(H,20,21)/t14-/m1/s1
Definition date:	1999-07-08
Last modified:	2011-06-04
Identifier:	4-({(1R)-1-[(R)-hydroxy(phenoxy)phosphoryl]pentyl}amino)-4-oxobutanoic acid

VA
Name:	(Z)-OCTADEC-11-ENYL ACETATE
Formula:	C20 H38 O2
SMILES:	O=C(OCCCCCCCCCCC=C/CCCCCC)C
InChi:	InChI=1S/C20H38O2/c1-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-22-20(2)21/h8-9H,3-7,10-19H2,1-2H3/b9-8-
Definition date:	2006-05-08
Last modified:	2011-06-04
Identifier:	(11Z)-octadec-11-en-1-yl acetate

HET

HET
Name:	3-[2-(2-CYCLOPENTYL-6-{[4-(DIMETHYLPHOSPHORYL)PHENYL]AMINO}-9H-PURIN-9-YL)ETHYL]PHENOL
Formula:	C26 H30 N5 O2 P
SMILES:	O=P(c1ccc(cc1)Nc4nc(nc2c4ncn2CCc3cccc(O)c3)C5CCCC5)(C)C
InChi:	InChI=1S/C26H30N5O2P/c1-34(2,33)22-12-10-20(11-13-22)28-25-23-26(30-24(29-25)19-7-3-4-8-19)31(17-27-23)15-14-18-6-5-9-21(32)16-18/h5-6,9-13,16-17,19,32H,3-4,7-8,14-15H2,1-2H3,(H,28,29,30)
Definition date:	2005-11-02
Last modified:	2011-06-04
Identifier:	3-[2-(2-cyclopentyl-6-{[4-(dimethylphosphoryl)phenyl]amino}-9H-purin-9-yl)ethyl]phenol

HEU

HEU
Name:	3-(2-HYDROXYETHYL)-2'-DEOXYURIDINE-5'-MONOPHOSPHATE
Formula:	C11 H17 N2 O9 P
SMILES:	O=C1N(C(=O)N(C=C1)C2OC(C(O)C2)COP(=O)(O)O)CCO
InChi:	InChI=1S/C11H17N2O9P/c14-4-3-12-9(16)1-2-13(11(12)17)10-5-7(15)8(22-10)6-21-23(18,19)20/h1-2,7-8,10,14-15H,3-6H2,(H2,18,19,20)/t7-,8+,10+/m0/s1
Definition date:	2002-02-15
Last modified:	2011-06-04
Identifier:	2'-deoxy-3-(2-hydroxyethyl)uridine 5'-(dihydrogen phosphate)

HEX

HEX
Name:	HEXANE
Formula:	C6 H14
SMILES:	CCCCCC
InChi:	InChI=1S/C6H14/c1-3-5-6-4-2/h3-6H2,1-2H3
Definition date:	1999-07-08
Last modified:	2011-06-04
Identifier:	hexane

HEY

HEY
Name:	(2E)-2-[({3-HYDROXY-2-METHYL-5-[(PHOSPHONOOXY)METHYL]PYRIDIN-4-YL}METHYL)AMINO]-5-PHOSPHONOPENT-2-ENOIC ACID
Formula:	C13 H20 N2 O10 P2
SMILES:	O=P(O)(O)CC/C=C(C(=O)O)NCc1c(cnc(c1O)C)COP(=O)(O)O
InChi:	InChI=1S/C13H20N2O10P2/c1-8-12(16)10(9(5-14-8)7-25-27(22,23)24)6-15-11(13(17)18)3-2-4-26(19,20)21/h3,5,15-16H,2,4,6-7H2,1H3,(H,17,18)(H2,19,20,21)(H2,22,23,24)/b11-3+
Definition date:	2003-12-10
Last modified:	2011-06-04
Identifier:	(2E)-2-[({3-hydroxy-2-methyl-5-[(phosphonooxy)methyl]pyridin-4-yl}methyl)amino]-5-phosphonopent-2-enoic acid

HEZ

HEZ
Name:	HEXANE-1,6-DIOL
Formula:	C6 H14 O2
SMILES:	OCCCCCCO
InChi:	InChI=1S/C6H14O2/c7-5-3-1-2-4-6-8/h7-8H,1-6H2
Definition date:	1999-07-08
Last modified:	2011-06-04
Identifier:	hexane-1,6-diol

HF1

HF1
Name:	4-(2-HYDROXY-4-FLUOROPHENYLTHIO)-BUTYLPHOSPHONIC ACID
Formula:	C10 H12 F O4 P S
SMILES:	Fc1cc(SCC/C=C/P(=O)(O)O)c(O)cc1
InChi:	InChI=1S/C10H12FO4PS/c11-8-3-4-9(12)10(7-8)17-6-2-1-5-16(13,14)15/h1,3-5,7,12H,2,6H2,(H2,13,14,15)/b5-1+
Definition date:	1999-08-10
Last modified:	2011-06-04
Identifier:	{(1E)-4-[(5-fluoro-2-hydroxyphenyl)sulfanyl]but-1-en-1-yl}phosphonic acid

VAA

VAA
Name:	N-[VALINYL]-N'-[ADENOSYL]-DIAMINOSUFONE
Formula:	C15 H24 N8 O6 S
SMILES:	O=C(NS(=O)(=O)NCC3OC(n2cnc1c(ncnc12)N)C(O)C3O)C(N)C(C)C
InChi:	InChI=1S/C15H24N8O6S/c1-6(2)8(16)14(26)22-30(27,28)21-3-7-10(24)11(25)15(29-7)23-5-20-9-12(17)18-4-19-13(9)23/h4-8,10-11,15,21,24-25H,3,16H2,1-2H3,(H,22,26)(H2,17,18,19)/t7-,8+,10-,11-,15-/m1/s1
Definition date:	2000-06-27
Last modified:	2011-06-04
Identifier:	5'-deoxy-5'-[(L-valylsulfamoyl)amino]adenosine

VAC

VAC
Name:	N,N-BIS(2-HYDROXY-1-INDANYL)-2,6- DIPHENYLMETHYL-4-HYDROXY-1,7-HEPTANDIAMIDE
Formula:	C39 H42 N2 O5
SMILES:	O=C(NC2c1ccccc1CC2O)C(Cc3ccccc3)CC(O)CC(C(=O)NC5c4ccccc4CC5O)Cc6ccccc6
InChi:	InChI=1S/C39H42N2O5/c42-31(21-29(19-25-11-3-1-4-12-25)38(45)40-36-32-17-9-7-15-27(32)23-34(36)43)22-30(20-26-13-5-2-6-14-26)39(46)41-37-33-18-10-8-16-28(33)24-35(37)44/h1-18,29-31,34-37,42-44H,19-24H2,(H,40,45)(H,41,46)/t29-,30-,34-,35-,36+,37+/m1/s1
Definition date:	1999-07-08
Last modified:	2011-06-04
Identifier:	(2R,6R)-2,6-dibenzyl-4-hydroxy-N,N'-bis[(1S,2R)-2-hydroxy-2,3-dihydro-1H-inden-1-yl]heptanediamide

HFB

HFB
Name:	hexafluorobenzene
Formula:	C6 F6
SMILES:	Fc1c(F)c(F)c(F)c(F)c1F
InChi:	InChI=1S/C6F6/c7-1-2(8)4(10)6(12)5(11)3(1)9
Definition date:	2008-07-11
Last modified:	2011-06-04
Identifier:	hexafluorobenzene

VAR

VAR
Name:	9-amino-5-(2-aminopyrimidin-4-yl)pyrido[3',2':4,5]pyrrolo[1,2-c]pyrimidin-4-ol
Formula:	C14 H11 N7 O
SMILES:	n1ccc(O)c2c1n4c(c2c3nc(ncc3)N)ccnc4N
InChi:	InChI=1S/C14H11N7O/c15-13-18-4-1-7(20-13)10-8-2-5-19-14(16)21(8)12-11(10)9(22)3-6-17-12/h1-6H,(H2,16,19)(H,17,22)(H2,15,18,20)
Definition date:	2007-12-04
Last modified:	2011-06-04
Identifier:	9-amino-5-(2-aminopyrimidin-4-yl)pyrido[3',2':4,5]pyrrolo[1,2-c]pyrimidin-4-ol

2A5

2A5
Name:	2'-deoxy-2'-(2-hydroxyethyl)adenosine 5'-(trihydrogen diphosphate)
Formula:	C12 H19 N5 O10 P2
SMILES:	O=P(O)(OP(=O)(O)O)OCC3OC(n2cnc1c(ncnc12)N)C(C3O)CCO
InChi:	InChI=1S/C12H19N5O10P2/c13-10-8-11(15-4-14-10)17(5-16-8)12-6(1-2-18)9(19)7(26-12)3-25-29(23,24)27-28(20,21)22/h4-7,9,12,18-19H,1-3H2,(H,23,24)(H2,13,14,15)(H2,20,21,22)/t6-,7-,9+,12-/m1/s1
Definition date:	2008-05-02
Last modified:	2011-06-04
Identifier:	2'-deoxy-2'-(2-hydroxyethyl)adenosine 5'-(trihydrogen diphosphate)

2A6

2A6
Name:	2-ANILINO-6-CYCLOHEXYLMETHOXYPURINE
Formula:	C18 H21 N5 O
SMILES:	n2c(OCC1CCCCC1)c4c(nc2Nc3ccccc3)ncn4
InChi:	InChI=1S/C18H21N5O/c1-3-7-13(8-4-1)11-24-17-15-16(20-12-19-15)22-18(23-17)21-14-9-5-2-6-10-14/h2,5-6,9-10,12-13H,1,3-4,7-8,11H2,(H2,19,20,21,22,23)
Definition date:	2002-07-21
Last modified:	2011-06-04
Identifier:	6-(cyclohexylmethoxy)-N-phenyl-7H-purin-2-amine

HFL

HFL
Name:	5-(3,3-DIHYDROXYPROPENY)-3-METHOXY-BENZENE-1,2-DIOL
Formula:	C10 H12 O5
SMILES:	O(c1cc(cc(O)c1O)/C=C/C(O)O)C
InChi:	InChI=1S/C10H12O5/c1-15-8-5-6(2-3-9(12)13)4-7(11)10(8)14/h2-5,9,11-14H,1H3/b3-2+
Definition date:	2002-02-12
Last modified:	2011-06-04
Identifier:	5-[(1E)-3,3-dihydroxyprop-1-en-1-yl]-3-methoxybenzene-1,2-diol

HFP

HFP
Name:	ALPHA-HYDROXYFARNESYLPHOSPHONIC ACID
Formula:	C15 H33 O4 P
SMILES:	O=P(O)(O)C(O)CC(CCCC(C)CCCC(C)C)C
InChi:	InChI=1S/C15H33O4P/c1-12(2)7-5-8-13(3)9-6-10-14(4)11-15(16)20(17,18)19/h12-16H,5-11H2,1-4H3,(H2,17,18,19)/t13-,14-,15+/m1/s1
Definition date:	1999-07-08
Last modified:	2011-06-04
Identifier:	[(1S,3R,7R)-1-hydroxy-3,7,11-trimethyldodecyl]phosphonic acid

2AC

2AC
Name:	2-AMINO-P-CRESOL
Formula:	C7 H9 N O
SMILES:	Oc1ccc(cc1N)C
InChi:	InChI=1S/C7H9NO/c1-5-2-3-7(9)6(8)4-5/h2-4,9H,8H2,1H3
Definition date:	2002-03-19
Last modified:	2011-06-04
Identifier:	2-amino-4-methylphenol

VB1

VB1
Name:	N^6^-[(1R)-2-{[(1S)-1-carboxypropyl]amino}-2-oxo-1-(sulfanylmethyl)ethyl]-6-oxo-L-lysine
Formula:	C13 H23 N3 O6 S
SMILES:	O=C(NC(C(=O)O)CC)C(NC(=O)CCCC(C(=O)O)N)CS
InChi:	InChI=1S/C13H23N3O6S/c1-2-8(13(21)22)16-11(18)9(6-23)15-10(17)5-3-4-7(14)12(19)20/h7-9,23H,2-6,14H2,1H3,(H,15,17)(H,16,18)(H,19,20)(H,21,22)/t7-,8-,9-/m0/s1
Definition date:	2007-09-14
Last modified:	2011-06-04
Identifier:	N~6~-[(1R)-2-{[(1S)-1-carboxypropyl]amino}-2-oxo-1-(sulfanylmethyl)ethyl]-6-oxo-L-lysine

2AD

2AD
Name:	2'-AMINO-2'-DEOXYADENOSINE
Formula:	C10 H14 N6 O3
SMILES:	n2c1c(ncnc1n(c2)C3OC(C(O)C3N)CO)N
InChi:	InChI=1S/C10H14N6O3/c11-5-7(18)4(1-17)19-10(5)16-3-15-6-8(12)13-2-14-9(6)16/h2-5,7,10,17-18H,1,11H2,(H2,12,13,14)/t4-,5-,7-,10-/m1/s1
Definition date:	2003-02-04
Last modified:	2011-06-04
Identifier:	2'-amino-2'-deoxyadenosine

2AF

2AF
Name:	2-AMINOPHENOL
Formula:	C6 H7 N O
SMILES:	Oc1ccccc1N
InChi:	InChI=1S/C6H7NO/c7-5-3-1-2-4-6(5)8/h1-4,8H,7H2
Definition date:	2002-03-19
Last modified:	2011-06-04
Identifier:	2-aminophenol

HFV

HFV
Name:	DELTA-(L-ALPHA-AMINOADIPOYL)-L-CYSTEINYL-L-3,3,3,3',3',3'-HEXAFLUOROVALINE
Formula:	C14 H19 F6 N3 O6 S
SMILES:	O=C(NC(C(=O)O)C(C(F)(F)F)C(F)(F)F)C(NC(=O)CCCC(C(=O)O)N)CS
InChi:	InChI=1S/C14H19F6N3O6S/c15-13(16,17)9(14(18,19)20)8(12(28)29)23-10(25)6(4-30)22-7(24)3-1-2-5(21)11(26)27/h5-6,8-9,30H,1-4,21H2,(H,22,24)(H,23,25)(H,26,27)(H,28,29)/t5-,6-,8-/m0/s1
Definition date:	2005-06-09
Last modified:	2011-06-04
Identifier:	N-[(5S)-5-amino-5-carboxypentanoyl]-L-cysteinyl-4,4,4,4',4',4'-hexafluoro-L-valine

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