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SEO

SEO
Name:	2-MERCAPTOETHANOL
Formula:	C2 H6 O S
SMILES:	OCCS
InChi:	InChI=1/C2H6OS/c3-1-2-4/h3-4H,1-2H2
Synonyms:	2-SULFHYDRYL-ETHANOL
Definition date:	1999-07-08
Last modified:	2008-10-14
Identifier:	2-sulfanylethanol

SEU

SEU
Name:	S-ETHYLISOTHIOUREA
Formula:	C3 H8 N2 S
SMILES:	[N@H]=C(SCC)N
InChi:	InChI=1/C3H8N2S/c1-2-6-3(4)5/h2H2,1H3,(H3,4,5)/f/h4H,5H2/b4-3-
Definition date:	1999-07-08
Last modified:	2008-10-14
Identifier:	ethyl imidothiocarbamate

SFN

SFN
Name:	SULFONATE GROUP
Formula:	H O3 S
SMILES:	[O-]S(=O)=O
InChi:	InChI=1/H2O3S/c1-4(2)3/h4H,(H,1,2,3)/p-1/fHO3S/q-1
Definition date:	1999-07-08
Last modified:	2008-10-14
Identifier:	(dioxidosulfanyl)oxidanide

SI2

SI2
Name:	O-SIALIC ACID (CHAIR CONFORMATION)
Formula:	C11 H19 N O9
SMILES:	O=C(O)C1(O)OC(C(O)C(O)CO)C(NC(=O)C)C(O)C1
InChi:	InChI=1/C11H19NO9/c1-4(14)12-7-5(15)2-11(20,10(18)19)21-9(7)8(17)6(16)3-13/h5-9,13,15-17,20H,2-3H2,1H3,(H,12,14)(H,18,19)/t5-,6+,7+,8+,9+,11?/m0/s1/f/h12,18H
Definition date:	1999-07-08
Last modified:	2008-10-14
Identifier:	5-(acetylamino)-3,5-dideoxy-D-glycero-alpha-D-galacto-non-2-ulopyranosonic acid

ISB

ISB
Name:	ISOBUTYRIC ACID
Formula:	C4 H8 O2
SMILES:	O=C(O)C(C)C
InChi:	InChI=1/C4H8O2/c1-3(2)4(5)6/h3H,1-2H3,(H,5,6)/f/h5H
Definition date:	2000-08-18
Last modified:	2008-10-14
Identifier:	2-methylpropanoic acid

ITS

ITS
Name:	INOSITOL 1,3,4,5-TETRAKISPHOSPHATE
Formula:	C6 H16 O18 P4
SMILES:	O=P(OC1C(OP(=O)(O)O)C(O)C(OP(=O)(O)O)C(O)C1OP(=O)(O)O)(O)O
InChi:	InChI=1/C6H16O18P4/c7-1-3(21-25(9,10)11)2(8)5(23-27(15,16)17)6(24-28(18,19)20)4(1)22-26(12,13)14/h1-8H,(H2,9,10,11)(H2,12,13,14)(H2,15,16,17)(H2,18,19,20)/t1-,2-,3-,4+,5-,6-/m0/s1/f/h9-10,12-13,15-16,18-19H
Definition date:	1999-07-08
Last modified:	2008-10-14
Identifier:	(1R,2S,3S,4S,5S,6S)-4,6-dihydroxycyclohexane-1,2,3,5-tetrayl tetrakis[dihydrogen (phosphate)]

IU6

IU6
Name:	6-ETHYL-ISO-URSODEOXYCHOLIC ACID
Formula:	C26 H44 O4
SMILES:	O=C(O)CCC(C4C3(C(C1C(C2(C(C(CC)C1O)CC(O)CC2)C)CC3)CC4)C)C
InChi:	InChI=1/C26H44O4/c1-5-17-21-14-16(27)10-12-26(21,4)20-11-13-25(3)18(15(2)6-9-22(28)29)7-8-19(25)23(20)24(17)30/h15-21,23-24,27,30H,5-14H2,1-4H3,(H,28,29)/t15-,16-,17-,18-,19+,20+,21+,23+,24-,25-,26-/m1/s1/f/h28H
Definition date:	2003-03-25
Last modified:	2008-10-14
Identifier:	(3beta,5beta,6beta,7beta,9beta)-6-ethyl-3,7-dihydroxycholan-24-oic acid

OLI

OLI
Name:	OLEIC ACID
Formula:	C18 H34 O2
SMILES:	O=C(O)CCCCCCCC=C/CCCCCCCC
InChi:	InChI=1/C18H34O2/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18(19)20/h9-10H,2-8,11-17H2,1H3,(H,19,20)/b10-9-/f/h19H
Definition date:	1999-07-08
Last modified:	2008-10-14
Identifier:	(9Z)-octadec-9-enoic acid

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

OMB

OMB
Name:	OXYMETHYLENE BRIDGING GROUP
Formula:	C H2 O
SMILES:	OC
InChi:	InChI=1/CH4O/c1-2/h2H,1H3
Definition date:	2001-04-02
Last modified:	2008-10-14
Identifier:	methanol

OME

OME
Name:	METHOXY GROUP
Formula:	C H3 O
SMILES:	OC
InChi:	InChI=1/CH4O/c1-2/h2H,1H3
Definition date:	1999-07-08
Last modified:	2008-10-14
Identifier:	methanol

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

148

148
Name:	2-[BIS-(2-HYDROXY-ETHYL)-AMINO]-2-HYDROXYMETHYL-PROPANE-1,3-DIOL
Formula:	C8 H19 N O5
SMILES:	OCCN(C(CO)(CO)CO)CCO
InChi:	InChI=1/C8H19NO5/c10-3-1-9(2-4-11)8(5-12,6-13)7-14/h10-14H,1-7H2
Definition date:	2001-10-02
Last modified:	2008-10-14
Identifier:	2-[bis(2-hydroxyethyl)amino]-2-(hydroxymethyl)propane-1,3-diol

OR5

OR5
Name:	OPEN FORM OF RIBOFURANOSE-5'-PHOSPHATE
Formula:	C5 H13 O8 P
SMILES:	O=P(O)(O)OCC(O)C(O)C(O)CO
InChi:	InChI=1/C5H13O8P/c6-1-3(7)5(9)4(8)2-13-14(10,11)12/h3-9H,1-2H2,(H2,10,11,12)/t3-,4+,5-/m0/s1/f/h10-11H
Definition date:	2004-08-19
Last modified:	2008-10-14
Identifier:	5-O-phosphono-D-ribitol

OTE

OTE
Name:	2-{2-[2-(2-OCTYLOXY-ETHOXY)-ETHOXYL]-ETHOXY}ETHANOL
Formula:	C16 H34 O5
SMILES:	O(CCCCCCCC)CCOCCOCCOCCO
InChi:	InChI=1/C16H34O5/c1-2-3-4-5-6-7-9-18-11-13-20-15-16-21-14-12-19-10-8-17/h17H,2-16H2,1H3
Definition date:	1999-07-08
Last modified:	2008-10-14
Identifier:	3,6,9,12-tetraoxaicosan-1-ol

RDP

RDP
Name:	ALPHA-D-RIBOSE-1-PHOSPHATE
Formula:	C5 H11 O8 P
SMILES:	O=P(OC1OC(C(O)C1O)CO)(O)O
InChi:	InChI=1/C5H11O8P/c6-1-2-3(7)4(8)5(12-2)13-14(9,10)11/h2-8H,1H2,(H2,9,10,11)/t2-,3-,4-,5-/m1/s1/f/h9-10H
Definition date:	2003-12-19
Last modified:	2008-10-14
Identifier:	1-O-phosphono-alpha-D-ribofuranose

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

RIC

RIC
Name:	PHOSPHORIC ACID MONO-[5-(5,6-DIMETHYL-BENZOIMIDAZOL-1-YL)-3,4-DIHYDROXY-TETRAHYDRO-FURAN-2YLMETHYL] ESTER
Formula:	C14 H19 N2 O7 P
SMILES:	O=P(O)(O)OCC3OC(n2cnc1cc(c(cc12)C)C)C(O)C3O
InChi:	InChI=1/C14H19N2O7P/c1-7-3-9-10(4-8(7)2)16(6-15-9)14-13(18)12(17)11(23-14)5-22-24(19,20)21/h3-4,6,11-14,17-18H,5H2,1-2H3,(H2,19,20,21)/t11-,12-,13-,14+/m1/s1/f/h19-20H
Definition date:	1999-09-17
Last modified:	2008-10-14
Identifier:	5,6-dimethyl-1-(5-O-phosphono-alpha-D-ribofuranosyl)-1H-benzimidazole

ROB

ROB
Name:	1-DEOXY-RIBOFURANOSE-5'-PHOSPHATE
Formula:	C5 H11 O7 P
SMILES:	O=P(OCC1OCC(O)C1O)(O)O
InChi:	InChI=1/C5H11O7P/c6-3-1-11-4(5(3)7)2-12-13(8,9)10/h3-7H,1-2H2,(H2,8,9,10)/t3-,4+,5+/m0/s1/f/h8-9H
Definition date:	1999-07-08
Last modified:	2008-10-14
Identifier:	1,4-anhydro-5-O-phosphono-D-xylitol

Q72

Q72
Name:	(S)-4-(4-(3-(3-CARBAMIMIDOYLPHENYL)-2-(2,4,6-TRIISOPROPYLPHENYLSULFONAMIDO)PROPANOYL)PIPERAZINE-1-CARBONYL)PIPERIDINE-1-CARBOXIMIDAMIDE
Formula:	C36 H54 N8 O4 S
SMILES:	O=C(N2CCN(C(=O)C1CCN(C(=[N@H])N)CC1)CC2)C(NS(=O)(=O)c3c(cc(cc3C(C)C)C(C)C)C(C)C)Cc4cc(C(=[N@H])N)ccc4
InChi:	InChI=1/C36H54N8O4S/c1-22(2)28-20-29(23(3)4)32(30(21-28)24(5)6)49(47,48)41-31(19-25-8-7-9-27(18-25)33(37)38)35(46)43-16-14-42(15-17-43)34(45)26-10-12-44(13-11-26)36(39)40/h7-9,18,20-24,26,31,41H,10-17,19H2,1-6H3,(H3,37,38)(H3,39,40)/t31-/m0/s1/f/h37,39H,38,40H2/b37-33+,39-36-
Definition date:	2006-05-04
Last modified:	2008-10-14
Identifier:	4-({4-[(2S)-3-(3-carbamimidoylphenyl)-2-({[2,4,6-tris(1-methylethyl)phenyl]sulfonyl}amino)propanoyl]piperazin-1-yl}carbonyl)piperidine-1-carboximidamide

2OF

2OF
Name:	FERROUS ION, 2 WATERS COORDINATED
Formula:	Fe H4 O2
SMILES:	O\|[Fe++]\|O
InChi:	InChI=1/Fe.2H2O/h
Definition date:	2002-07-18
Last modified:	2008-10-14

2OG

2OG
Name:	2-OXO-GLUTARIC ACID
Formula:	C5 H6 O5
SMILES:	O=C(O)C(=O)CCC(=O)O
InChi:	InChI=1/C5H6O5/c6-3(5(9)10)1-2-4(7)8/h1-2H2,(H,7,8)(H,9,10)/f/h7,9H
Definition date:	1999-07-08
Last modified:	2008-10-14
Identifier:	2-oxopentanedioic acid

2PL

2PL
Name:	PHOSPHOGLYCOLIC ACID
Formula:	C2 H5 O6 P
SMILES:	O=P(O)(O)OCC(=O)O
InChi:	InChI=1/C2H5O6P/c3-2(4)1-8-9(5,6)7/h1H2,(H,3,4)(H2,5,6,7)/f/h3,5-6H
Definition date:	1999-07-08
Last modified:	2008-10-14
Identifier:	(phosphonooxy)acetic acid

S
Name:	SULFUR ATOM
Formula:	S
SMILES:	[S]
InChi:	InChI=1/H2S/h1H2
Definition date:	1999-07-08
Last modified:	2008-10-14
Identifier:	sulfane

MW1

MW1
Name:	MANGANESE ION, 1 WATER COORDINATED
Formula:	H2 Mn O
SMILES:	O\|[Mn++]
InChi:	InChI=1/Mn.H2O/h
Definition date:	2000-03-20
Last modified:	2008-10-14

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