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OTP

OTP
Name:	(2E,6E,10E,14E,18E,22E,26E)-3,7,11,15,19,23,27,31-OCTAMETHYLDOTRIACONTA-2,6,10,14,18,22,26,30-OCTAENYL TRIHYDROGEN DIPHOSPHATE
Formula:	C40 H68 O7 P2
SMILES:	O=P(O)(O)OP(=O)(O)OC/C=C(/CCC=C(/C)CCC=C(/C)CCC=C(/C)CCC=C(/C)CCC=C(/C)CCC=C(/C)CCC=C(/C)C)C
InChi:	InChI=1S/C40H68O7P2/c1-33(2)17-10-18-34(3)19-11-20-35(4)21-12-22-36(5)23-13-24-37(6)25-14-26-38(7)27-15-28-39(8)29-16-30-40(9)31-32-46-49(44,45)47-48(41,42)43/h17,19,21,23,25,27,29,31H,10-16,18,20,22,24,26,28,30,32H2,1-9H3,(H,44,45)(H2,41,42,43)/b34-19+,35-21+,36-23+,37-25+,38-27+,39-29+,40-31+
Synonyms:	OCTAPRENYL PYROPHOSPHATE
Definition date:	2004-12-06
Last modified:	2021-03-01
Identifier:	(2E,6E,10E,14E,18E,22E,26E)-3,7,11,15,19,23,27,31-octamethyldotriaconta-2,6,10,14,18,22,26,30-octaen-1-yl trihydrogen diphosphate

OTR

OTR
Name:	4-(2R-AMINO-1-HYDROXYETHYL)PHENOL
Formula:	C8 H11 N O2
SMILES:	OC(c1ccc(O)cc1)CN
InChi:	InChI=1S/C8H11NO2/c9-5-8(11)6-1-3-7(10)4-2-6/h1-4,8,10-11H,5,9H2/t8-/m0/s1
Synonyms:	R-OCTOPAMINE
Definition date:	2003-11-12
Last modified:	2021-03-01
Identifier:	4-[(1R)-2-amino-1-hydroxyethyl]phenol

OTS

OTS
Name:	4-(2S-AMINO-1-HYDROXYETHYL)PHENOL
Formula:	C8 H11 N O2
SMILES:	OC(c1ccc(O)cc1)CN
InChi:	InChI=1S/C8H11NO2/c9-5-8(11)6-1-3-7(10)4-2-6/h1-4,8,10-11H,5,9H2/t8-/m1/s1
Synonyms:	S-OCTOPAMINE
Definition date:	2003-11-12
Last modified:	2021-03-01
Identifier:	4-[(1S)-2-amino-1-hydroxyethyl]phenol

C93

C93
Name:	3-(4-hydroxypiperidin-1-yl)benzene-1,2-dicarboxylic acid
Formula:	C13 H15 N O5
SMILES:	O=C(O)c1c(c(ccc1)N2CCC(O)CC2)C(=O)O
InChi:	InChI=1S/C13H15NO5/c15-8-4-6-14(7-5-8)10-3-1-2-9(12(16)17)11(10)13(18)19/h1-3,8,15H,4-7H2,(H,16,17)(H,18,19)
Synonyms:	3-(4-hydroxypiperidine-1-yl) phthalic acid
Definition date:	2014-08-19
Last modified:	2021-03-01
Release date:	2014-10-15
Identifier:	3-(4-hydroxypiperidin-1-yl)benzene-1,2-dicarboxylic acid

C9C

C9C
Name:	4-(2-hydroxyethyloxycarbonyl)benzoic acid
Formula:	C10 H10 O5
SMILES:	OCCOC(=O)c1ccc(cc1)C(O)=O
InChi:	InChI=1S/C10H10O5/c11-5-6-15-10(14)8-3-1-7(2-4-8)9(12)13/h1-4,11H,5-6H2,(H,12,13)
Synonyms:	monohydroxyethyl terephthalate
Definition date:	2019-04-16
Last modified:	2021-03-01
Release date:	2020-04-15
Identifier:	4-(2-hydroxyethyloxycarbonyl)benzoic acid

OVE

OVE
Name:	2'-O-(sulfidophosphinato)adenosine
Formula:	C10 H14 N5 O6 P S
SMILES:	[O-]P([S-])(=O)OC3C(O)C(OC3n2cnc1c(ncnc12)N)CO
InChi:	InChI=1S/C10H14N5O6PS/c11-8-5-9(13-2-12-8)15(3-14-5)10-7(21-22(18,19)23)6(17)4(1-16)20-10/h2-4,6-7,10,16-17H,1H2,(H2,11,12,13)(H2,18,19,23)/p-2/t4-,6-,7-,10-/m1/s1
Synonyms:	ADENOSINE-2'-MONOPHOSPHOROTHIOATE
Definition date:	2012-10-29
Last modified:	2021-03-01
Release date:	2013-07-10
Identifier:	2'-O-(sulfidophosphinato)adenosine

CCA

CCA
Name:	2-BENZOYLOXY-8-METHYL-8-AZA-BICYCLO[3.2.1]OCTANE-3-CARBOXYLIC ACID METHYL ESTER
Formula:	C17 H22 N O4
SMILES:	O=C(OC)C3C1[NH+](C)C(CC1)CC3OC(=O)c2ccccc2
InChi:	InChI=1S/C17H21NO4/c1-18-12-8-9-13(18)15(17(20)21-2)14(10-12)22-16(19)11-6-4-3-5-7-11/h3-7,12-15H,8-10H2,1-2H3/p+1/t12-,13+,14-,15+/m1/s1
Synonyms:	COCAINE
Definition date:	2001-04-12
Last modified:	2021-03-01
Identifier:	(1S,2S,3R,5R,8R)-2-(methoxycarbonyl)-8-methyl-3-[(phenylcarbonyl)oxy]-8-azoniabicyclo[3.2.1]octane

CCX

CCX
Name:	3-cyano-N-{1-[4-(5-cyano-1H-indol-3-yl)butyl]piperidin-4-yl}-1H-indole-7-carboxamide
Formula:	C28 H28 N6 O
SMILES:	N#Cc2c1cccc(c1nc2)C(=O)NC5CCN(CCCCc4c3cc(C#N)ccc3nc4)CC5
InChi:	InChI=1S/C28H28N6O/c29-15-19-7-8-26-25(14-19)20(17-31-26)4-1-2-11-34-12-9-22(10-13-34)33-28(35)24-6-3-5-23-21(16-30)18-32-27(23)24/h3,5-8,14,17-18,22,31-32H,1-2,4,9-13H2,(H,33,35)
Synonyms:	3-Cyano-1H-indole-7-carboxylic acid {1-[4-(5-cyano-1H-indol-3-yl)-butyl]-piperidin-4-yl}-amide
Definition date:	2010-03-04
Last modified:	2021-03-01
Identifier:	3-cyano-N-{1-[4-(5-cyano-1H-indol-3-yl)butyl]piperidin-4-yl}-1H-indole-7-carboxamide

CD4

CD4
Name:	(2R,5R,11R,14R)-5,8,11-trihydroxy-5,11-dioxido-17-oxo-2,14-bis(tetradecanoyloxy)-4,6,10,12,16-pentaoxa-5,11-diphosphatriacont-1-yl tetradecanoate
Formula:	C65 H126 O17 P2
SMILES:	O=C(OC(COP(=O)(OCC(O)COP(=O)(O)OCC(OC(=O)CCCCCCCCCCCCC)COC(=O)CCCCCCCCCCCCC)O)COC(=O)CCCCCCCCCCCCC)CCCCCCCCCCCCC
InChi:	InChI=1S/C65H126O17P2/c1-5-9-13-17-21-25-29-33-37-41-45-49-62(67)75-55-60(81-64(69)51-47-43-39-35-31-27-23-19-15-11-7-3)57-79-83(71,72)77-53-59(66)54-78-84(73,74)80-58-61(82-65(70)52-48-44-40-36-32-28-24-20-16-12-8-4)56-76-63(68)50-46-42-38-34-30-26-22-18-14-10-6-2/h59-61,66H,5-58H2,1-4H3,(H,71,72)(H,73,74)/t60-,61-/m1/s1
Synonyms:	tetramyristoyl-cardiolipin
Definition date:	2009-02-11
Last modified:	2021-03-01
Identifier:	(2R,5R,11R,14R)-5,8,11-trihydroxy-5,11-dioxido-17-oxo-2,14-bis(tetradecanoyloxy)-4,6,10,12,16-pentaoxa-5,11-diphosphatriacont-1-yl tetradecanoate (non-preferred name)

CDT

CDT
Name:	4-METHYLSULFANYL-2-UREIDO-BUTYRIC ACID
Formula:	C6 H12 N2 O3 S
SMILES:	O=C(NC(C(=O)O)CCSC)N
InChi:	InChI=1S/C6H12N2O3S/c1-12-3-2-4(5(9)10)8-6(7)11/h4H,2-3H2,1H3,(H,9,10)(H3,7,8,11)/t4-/m1/s1
Synonyms:	N-CARBAMYL-D-METHIONINE
Definition date:	2003-05-28
Last modified:	2021-03-01
Identifier:	N-carbamoyl-D-methionine

CDV

CDV
Name:	3-METHYL-2-UREIDO-BUTYRIC ACID
Formula:	C6 H12 N2 O3
SMILES:	O=C(O)C(NC(=O)N)C(C)C
InChi:	InChI=1S/C6H12N2O3/c1-3(2)4(5(9)10)8-6(7)11/h3-4H,1-2H3,(H,9,10)(H3,7,8,11)/t4-/m1/s1
Synonyms:	N-CARBAMYL-D-VALINE
Definition date:	2003-05-29
Last modified:	2021-03-01
Identifier:	N-carbamoyl-D-valine

CEI

CEI
Name:	N-[3-BENZYL-5-(4-HYDROXYPHENYL)PYRAZIN-2-YL]-2-(4-HYDROXYPHENYL)ACETAMIDE
Formula:	C25 H21 N3 O3
SMILES:	O=C(Nc1ncc(nc1Cc2ccccc2)c3ccc(O)cc3)Cc4ccc(O)cc4
InChi:	InChI=1S/C25H21N3O3/c29-20-10-6-18(7-11-20)15-24(31)28-25-22(14-17-4-2-1-3-5-17)27-23(16-26-25)19-8-12-21(30)13-9-19/h1-13,16,29-30H,14-15H2,(H,26,28,31)
Synonyms:	COELENTERAMIDE
Definition date:	2004-01-26
Last modified:	2021-03-01
Identifier:	N-[3-benzyl-5-(4-hydroxyphenyl)pyrazin-2-yl]-2-(4-hydroxyphenyl)acetamide

CEN

CEN
Name:	7BETA-(4CARBOXYBUTANAMIDO) CEPHALOSPORANIC ACID
Formula:	C15 H18 N2 O8 S
SMILES:	O=C2N1C(=C(CSC1C2NC(=O)CCCC(=O)O)COC(=O)C)C(=O)O
InChi:	InChI=1S/C15H18N2O8S/c1-7(18)25-5-8-6-26-14-11(13(22)17(14)12(8)15(23)24)16-9(19)3-2-4-10(20)21/h11,14H,2-6H2,1H3,(H,16,19)(H,20,21)(H,23,24)/t11-,14-/m1/s1
Synonyms:	GLUTARYL 7-AMINO CEPHALOSPORANIC ACID
Definition date:	2001-01-19
Last modified:	2021-03-01
Identifier:	(6R,7R)-3-[(acetyloxy)methyl]-7-[(4-carboxybutanoyl)amino]-8-oxo-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylic acid

CFB

CFB
Name:	2-CHLORO-9-(2-DEOXY-2-FLUORO-B -D-ARABINOFURANOSYL)-9H-PURIN-6-AMINE
Formula:	C10 H11 Cl F N5 O3
SMILES:	Clc1nc(c2ncn(c2n1)C3OC(C(O)C3F)CO)N
InChi:	InChI=1S/C10H11ClFN5O3/c11-10-15-7(13)5-8(16-10)17(2-14-5)9-4(12)6(19)3(1-18)20-9/h2-4,6,9,18-19H,1H2,(H2,13,15,16)/t3-,4+,6-,9-/m1/s1
Synonyms:	CLOFARABINE
Definition date:	2005-07-14
Last modified:	2021-03-01
Identifier:	2-chloro-9-(2-deoxy-2-fluoro-beta-D-arabinofuranosyl)-9H-purin-6-amine

CFE

CFE
Name:	(8R)-3-beta-D-ribofuranosyl-3,6,7,8-tetrahydroimidazo[4,5-d][1,3]diazepin-8-ol
Formula:	C11 H16 N4 O5
SMILES:	OC[CH]1O[CH]([CH](O)[CH]1O)n2cnc3[CH](O)CNC=Nc23
InChi:	InChI=1S/C11H16N4O5/c16-2-6-8(18)9(19)11(20-6)15-4-14-7-5(17)1-12-3-13-10(7)15/h3-6,8-9,11,16-19H,1-2H2,(H,12,13)/t5-,6-,8-,9-,11-/m1/s1
Synonyms:	Coformycin
Definition date:	2010-01-26
Last modified:	2021-03-01
Identifier:	(2R,3R,4S,5R)-2-[(8R)-8-hydroxy-7,8-dihydro-6H-imidazo[4,5-d][1,3]diazepin-3-yl]-5-(hydroxymethyl)oxolane-3,4-diol

P12

P12
Name:	4-[AMINO(IMINO)METHYL]-1-[2-(3-AMMONIOPROPOXY)-5-METHOXYBENZYL]PIPERAZIN-1-IUM
Formula:	C16 H29 N5 O2
SMILES:	[N@H]=C(N)N2CC[NH+](Cc1cc(OC)ccc1OCCC[NH3+])CC2
InChi:	InChI=1S/C16H27N5O2/c1-22-14-3-4-15(23-10-2-5-17)13(11-14)12-20-6-8-21(9-7-20)16(18)19/h3-4,11H,2,5-10,12,17H2,1H3,(H3,18,19)/p+2
Synonyms:	RBT205 INHIBITOR
Definition date:	2003-12-19
Last modified:	2021-03-01
Identifier:	1-[2-(3-ammoniopropoxy)-5-methoxybenzyl]-4-carbamimidoylpiperazin-1-ium

P16

P16
Name:	6-(2,6-DICHLOROPHENYL)-2-{[3-(HYDROXYMETHYL)PHENYL]AMINO}-8-METHYLPYRIDO[2,3-D]PYRIMIDIN-7(8H)-ONE
Formula:	C21 H16 Cl2 N4 O2
SMILES:	Clc4cccc(Cl)c4C3=Cc1c(nc(nc1)Nc2cc(ccc2)CO)N(C3=O)C
InChi:	InChI=1S/C21H16Cl2N4O2/c1-27-19-13(9-15(20(27)29)18-16(22)6-3-7-17(18)23)10-24-21(26-19)25-14-5-2-4-12(8-14)11-28/h2-10,28H,11H2,1H3,(H,24,25,26)
Synonyms:	PD166326
Definition date:	2003-03-18
Last modified:	2021-03-01
Identifier:	6-(2,6-dichlorophenyl)-2-{[3-(hydroxymethyl)phenyl]amino}-8-methylpyrido[2,3-d]pyrimidin-7(8H)-one

P17

P17
Name:	6-(2,6-DICHLORO-PHENYL)-8-METHYL-2-(3-METHYLSULFANYL-PHENYLAMINO)-8H-PYRIDO[2,3-D]PYRIMIDIN-7-ONE
Formula:	C21 H16 Cl2 N4 O S
SMILES:	Clc4cccc(Cl)c4C3=Cc1c(nc(nc1)Nc2cccc(SC)c2)N(C3=O)C
InChi:	InChI=1S/C21H16Cl2N4OS/c1-27-19-12(9-15(20(27)28)18-16(22)7-4-8-17(18)23)11-24-21(26-19)25-13-5-3-6-14(10-13)29-2/h3-11H,1-2H3,(H,24,25,26)
Synonyms:	PD173955
Definition date:	2002-07-31
Last modified:	2021-03-01
Identifier:	6-(2,6-dichlorophenyl)-8-methyl-2-{[3-(methylsulfanyl)phenyl]amino}pyrido[2,3-d]pyrimidin-7(8H)-one

P1S

P1S
Name:	(6AR,12AR)-3-(HYDROXYMETHYL)-6H-[1,3]DIOXOLO[5,6][1]BENZOFURO[3,2-C]CHROMEN-6A(12AH)-OL
Formula:	C17 H14 O6
SMILES:	O3c2cc1OCOc1cc2C4(O)C3c5ccc(cc5OC4)CO
InChi:	InChI=1S/C17H14O6/c18-6-9-1-2-10-12(3-9)20-7-17(19)11-4-14-15(22-8-21-14)5-13(11)23-16(10)17/h1-5,16,18-19H,6-8H2/t16-,17+/m1/s1
Synonyms:	PISATIN
Definition date:	2005-04-28
Last modified:	2021-03-01
Identifier:	(6aR,12aR)-3-(hydroxymethyl)-6H-[1,3]dioxolo[5,6][1]benzofuro[3,2-c]chromen-6a(12aH)-ol

CGR

CGR
Name:	CYCLIC GUANOSINE DIPHOSPHATE-RIBOSE
Formula:	C15 H23 N5 O14 P2
SMILES:	O=C1C=2N3CN(C=2N=C(N)N1)C5OC(COP(=O)(O)OP(=O)(O)OCC4OC3C(O)C4O)C(O)C5O
InChi:	InChI=1S/C15H23N5O14P2/c16-15-17-11-6(12(25)18-15)19-3-20(11)14-10(24)8(22)5(33-14)2-31-36(28,29)34-35(26,27)30-1-4-7(21)9(23)13(19)32-4/h4-5,7-10,13-14,21-24H,1-3H2,(H,26,27)(H,28,29)(H3,16,17,18,25)/t4-,5-,7-,8-,9-,10-,13-,14-/m1/s1
Synonyms:	CYCLIC GDP-RIBOSE
Definition date:	2006-12-11
Last modified:	2021-03-01
Identifier:	(2R,3R,4S,5R,8S,10S,13R,14S,15R,16R)-20-amino-3,4,8,10,14,15-hexahydroxy-7,9,11,25,26-pentaoxa-1,17,19,21-tetraaza-8,10-diphosphapentacyclo[15.6.1.1~2,5~.1~13,16~.0~18,23~]hexacosa-18(23),19-dien-22-one 8,10-dioxide (non-preferred name)

P24

P24
Name:	1-(AMINOETHYL)AMINO-4-AMINOBUTANE
Formula:	C6 H17 N3
SMILES:	NCCCCNCCN
InChi:	InChI=1S/C6H17N3/c7-3-1-2-5-9-6-4-8/h9H,1-8H2
Synonyms:	PA(24)
Definition date:	1999-07-08
Last modified:	2021-03-01
Identifier:	N-(2-aminoethyl)butane-1,4-diamine

CH5

CH5
Name:	2-(((R)-2,3-DIHYDROXYPROPYL)PHOSPHORYLOXY)-N,N,N-TRIMETHYLETHANAMINIUM
Formula:	C8 H21 N O6 P
SMILES:	O=P(OCC(O)CO)(OCC[N+](C)(C)C)O
InChi:	InChI=1S/C8H20NO6P/c1-9(2,3)4-5-14-16(12,13)15-7-8(11)6-10/h8,10-11H,4-7H2,1-3H3/p+1/t8-/m1/s1
Synonyms:	GLYCERO-3-PHOSPHOCHOLINE
Definition date:	2005-08-12
Last modified:	2021-03-01
Identifier:	2-{[(S)-{[(2R)-2,3-dihydroxypropyl]oxy}(hydroxy)phosphoryl]oxy}-N,N,N-trimethylethanaminium

P2E

P2E
Name:	(Z)-7-[(1R,2R,3R)-3-hydroxy-2-[(E,3S)-3-hydroxyoct-1-enyl]-5-oxo-cyclopentyl]hept-5-enoic acid
Formula:	C20 H32 O5
SMILES:	O=C1CC(O)C(/C=C/C(O)CCCCC)C1CC=C/CCCC(=O)O
InChi:	InChI=1S/C20H32O5/c1-2-3-6-9-15(21)12-13-17-16(18(22)14-19(17)23)10-7-4-5-8-11-20(24)25/h4,7,12-13,15-17,19,21,23H,2-3,5-6,8-11,14H2,1H3,(H,24,25)/b7-4-,13-12+/t15-,16+,17+,19+/m0/s1
Synonyms:	Prostaglandin E2
Definition date:	2009-06-04
Last modified:	2021-03-01
Release date:	2014-07-23
Identifier:	(5Z,11alpha,12alpha,13E,15S)-11,15-dihydroxy-9-oxoprosta-5,13-dien-1-oic acid

P2S

P2S
Name:	(2S)-2-AMINO-4-[[(2R)-2-CARBOXYBUTYL](PHOSPHONO)SULFONIMIDOYL]BUTANOIC ACID
Formula:	C9 H19 N2 O8 P S
SMILES:	O=P(N=S(=O)(CC(C(=O)O)CC)CCC(C(=O)O)N)(O)O
InChi:	InChI=1S/C9H19N2O8PS/c1-2-6(8(12)13)5-21(19,11-20(16,17)18)4-3-7(10)9(14)15/h6-7H,2-5,10H2,1H3,(H,12,13)(H,14,15)(H2,16,17,18)/t6-,7+,21-/m1/s1
Synonyms:	N-PHOSPHORYL (2S)-2-AMINO-4-[(2S)-2-CARBOXYBUTYL-(R)-SULFONIMIDOYL]BUTANOIC ACID
Definition date:	2004-02-13
Last modified:	2021-03-01
Identifier:	(2S)-2-amino-4-{S-[(2S)-2-carboxybutyl]-N-phosphonosulfonimidoyl}butanoic acid

CHU

CHU
Name:	N-(3-fluoro-4-{[4-methyl-2-oxo-7-(pyrimidin-2-yloxy)-2H-chromen-3-yl]methyl}pyridin-2-yl)-N'-methylsulfuric diamide
Formula:	C21 H18 F N5 O5 S
SMILES:	O=S(=O)(NC)Nc1nccc(c1F)CC2=C(c4c(OC2=O)cc(Oc3ncccn3)cc4)C
InChi:	InChI=1S/C21H18FN5O5S/c1-12-15-5-4-14(31-21-25-7-3-8-26-21)11-17(15)32-20(28)16(12)10-13-6-9-24-19(18(13)22)27-33(29,30)23-2/h3-9,11,23H,10H2,1-2H3,(H,24,27)
Synonyms:	CH5126766
Definition date:	2013-10-01
Last modified:	2021-03-01
Release date:	2014-06-04
Identifier:	N-(3-fluoro-4-{[4-methyl-2-oxo-7-(pyrimidin-2-yloxy)-2H-chromen-3-yl]methyl}pyridin-2-yl)-N'-methylsulfuric diamide

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