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6SA

6SA
Name:	ACARBOSE DERIVED HEXASACCHARIDE
Formula:	C37 H63 N O28
SMILES:	O(C4C(=CC(NC3C(OC(OC2C(O)C(O)C(OCC1OC(O)C(O)C(O)C1O)OC2CO)C(O)C3O)C)C(O)C4O)CO)C6OC(C(OC5OC(CO)C(O)C(O)C5O)C(O)C6O)CO
InChi:	InChI=1S/C37H63NO28/c1-8-15(19(46)26(53)35(59-8)65-31-12(5-41)62-34(28(55)23(31)50)58-7-14-18(45)20(47)25(52)33(57)60-14)38-10-2-9(3-39)30(22(49)16(10)43)64-37-29(56)24(51)32(13(6-42)63-37)66-36-27(54)21(48)17(44)11(4-40)61-36/h2,8,10-57H,3-7H2,1H3/t8-,10+,11-,12-,13-,14-,15-,16+,17-,18-,19+,20+,21+,22-,23-,24-,25-,26-,27-,28-,29-,30-,31-,32-,33-,34+,35-,36-,37-/m1/s1
Synonyms:	4,6-DIDEOXY-4-{[(4R,5R)-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-(1->4)-ALPHA-D-XYLO-HEXOPYRANOSYL-(1->6)-BETA-D-ARABINO-HEXOPYRANOSE
Definition date:	2004-09-15
Last modified:	2021-03-13
Identifier:	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-(1->4)-alpha-D-glucopyranosyl-(1->6)-beta-D-glucopyranose

PCW

PCW
Name:	1,2-DIOLEOYL-SN-GLYCERO-3-PHOSPHOCHOLINE
Formula:	C44 H85 N O8 P
SMILES:	O=C(OCC(OC(=O)CCCCCCCC=C/CCCCCCCC)COP(=O)(OCC[N+](C)(C)C)O)CCCCCCCC=C/CCCCCCCC
InChi:	InChI=1S/C44H84NO8P/c1-6-8-10-12-14-16-18-20-22-24-26-28-30-32-34-36-43(46)50-40-42(41-52-54(48,49)51-39-38-45(3,4)5)53-44(47)37-35-33-31-29-27-25-23-21-19-17-15-13-11-9-7-2/h20-23,42H,6-19,24-41H2,1-5H3/p+1/b22-20-,23-21-/t42-/m1/s1
Synonyms:	(Z,Z)-4-HYDROXY-N,N,N-TRIMETHYL-10-OXO-7-[(1-OXO-9-OCTADECENYL)OXY]-3,5,9-TRIOXA-4-PHOSPHAHEPTACOS-18-EN-1-AMINIUM-4-OXIDE
Definition date:	2004-04-28
Last modified:	2021-03-13
Identifier:	(4S,7R,18Z)-4-hydroxy-N,N,N-trimethyl-7-[(9Z)-octadec-9-enoyloxy]-10-oxo-3,5,9-trioxa-4-phosphaheptacos-18-en-1-aminium 4-oxide

6TB

6TB
Name:	4-[[(7~{R})-8-cyclopentyl-7-ethyl-5-methyl-6-oxidanylidene-7~{H}-pteridin-2-yl]-methyl-amino]-3-methoxy-~{N}-(1-methylpiperidin-4-yl)benzamide
Formula:	C29 H41 N7 O3
SMILES:	CC[CH]1N(C2CCCC2)c3nc(ncc3N(C)C1=O)N(C)c4ccc(cc4OC)C(=O)NC5CCN(C)CC5
InChi:	InChI=1S/C29H41N7O3/c1-6-22-28(38)34(3)24-18-30-29(32-26(24)36(22)21-9-7-8-10-21)35(4)23-12-11-19(17-25(23)39-5)27(37)31-20-13-15-33(2)16-14-20/h11-12,17-18,20-22H,6-10,13-16H2,1-5H3,(H,31,37)/t22-/m1/s1
Synonyms:	(R)-4-((8-cyclopentyl-7-ethyl-5-methyl-6-oxo-5,6,7,8-tetrahydropteridin-2-yl)(methyl)amino)-3-methoxy-N-(1-methylpiperidin-4-yl)benzamide
Definition date:	2016-06-20
Last modified:	2021-03-13
Release date:	2017-08-09
Identifier:	4-[[(7~{R})-8-cyclopentyl-7-ethyl-5-methyl-6-oxidanylidene-7~{H}-pteridin-2-yl]-methyl-amino]-3-methoxy-~{N}-(1-methylpiperidin-4-yl)benzamide

6TD

6TD
Name:	2-[3-(4-methoxybenzyl)[1,2,4]triazolo[3,4-b][1,3,4]thiadiazol-6-yl]-1H-indole
Formula:	C19 H15 N5 O S
SMILES:	n1nc3sc(nn3c1Cc2ccc(OC)cc2)c5cc4ccccc4n5
InChi:	InChI=1S/C19H15N5OS/c1-25-14-8-6-12(7-9-14)10-17-21-22-19-24(17)23-18(26-19)16-11-13-4-2-3-5-15(13)20-16/h2-9,11,20H,10H2,1H3
Synonyms:	6-(1H-indol-2-yl)-3-(4-methoxybenzyl)-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazole
Definition date:	2014-01-10
Last modified:	2021-03-13
Release date:	2018-07-04
Identifier:	2-[3-(4-methoxybenzyl)[1,2,4]triazolo[3,4-b][1,3,4]thiadiazol-6-yl]-1H-indole

6TF

6TF
Name:	N-[(4-fluorophenyl)methyl]-2-{(1R)-5-[(methylcarbamoyl)amino]-2',4'-dioxo-2,3-dihydro-3'H-spiro[indene-1,5'-[1,3]oxazolidin]-3'-yl}-N-[(2S)-1,1,1-trifluoropropan-2-yl]acetamide
Formula:	C25 H24 F4 N4 O5
SMILES:	c3cc4C1(C(N(C(=O)O1)CC(N(Cc2ccc(cc2)F)C(C)C(F)(F)F)=O)=O)CCc4cc3NC(NC)=O
InChi:	InChI=1S/C25H24F4N4O5/c1-14(25(27,28)29)32(12-15-3-5-17(26)6-4-15)20(34)13-33-21(35)24(38-23(33)37)10-9-16-11-18(7-8-19(16)24)31-22(36)30-2/h3-8,11,14H,9-10,12-13H2,1-2H3,(H2,30,31,36)/t14-,24+/m0/s1
Synonyms:	N-(4-fluorobenzyl)-2-((R)-5-(3-methylureido)-2',4'-dioxo-2,3-dihydrospiro[indene-1,5'-ozazolidine]-3'-yl)-N-((S)-1,1,1-trifluoropropan-2-yl)acetamide
Definition date:	2016-06-20
Last modified:	2021-03-13
Release date:	2017-09-27
Identifier:	N-[(4-fluorophenyl)methyl]-2-{(1R)-5-[(methylcarbamoyl)amino]-2',4'-dioxo-2,3-dihydro-3'H-spiro[indene-1,5'-[1,3]oxazolidin]-3'-yl}-N-[(2S)-1,1,1-trifluoropropan-2-yl]acetamide

PDY

PDY
Name:	N~7~-(4-ethoxyphenyl)-6-methyl-N~5~-[(3S)-piperidin-3-yl]pyrazolo[1,5-a]pyrimidine-5,7-diamine
Formula:	C20 H26 N6 O
SMILES:	n3c(NC1CCCNC1)c(c(Nc2ccc(OCC)cc2)n4nccc34)C
InChi:	InChI=1S/C20H26N6O/c1-3-27-17-8-6-15(7-9-17)24-20-14(2)19(23-16-5-4-11-21-13-16)25-18-10-12-22-26(18)20/h6-10,12,16,21,24H,3-5,11,13H2,1-2H3,(H,23,25)/t16-/m0/s1
Synonyms:	{5-[((3S)(3-piperidyl))amino]-6-methyl(pyrazolo[1,5-a]pyrimidin-7-yl)}(4-ethoxyphenyl)amine
Definition date:	2009-05-19
Last modified:	2021-03-13
Identifier:	N~7~-(4-ethoxyphenyl)-6-methyl-N~5~-[(3S)-piperidin-3-yl]pyrazolo[1,5-a]pyrimidine-5,7-diamine

6U9

6U9
Name:	nimodipine
Formula:	C21 H26 N2 O7
SMILES:	COCCOC(=O)C1=C(C)NC(=C([CH]1c2cccc(c2)[N+]([O-])=O)C(=O)OC(C)C)C
InChi:	InChI=1S/C21H26N2O7/c1-12(2)30-21(25)18-14(4)22-13(3)17(20(24)29-10-9-28-5)19(18)15-7-6-8-16(11-15)23(26)27/h6-8,11-12,19,22H,9-10H2,1-5H3/t19-/m0/s1
Synonyms:	~{O}3-(2-methoxyethyl) ~{O}5-propan-2-yl (4~{S})-2,6-dimethyl-4-(3-nitrophenyl)-1,4-dihydropyridine-3,5-dicarboxylate
Definition date:	2016-06-27
Last modified:	2021-03-13
Release date:	2016-08-31
Identifier:	~{O}3-(2-methoxyethyl) ~{O}5-propan-2-yl (4~{S})-2,6-dimethyl-4-(3-nitrophenyl)-1,4-dihydropyridine-3,5-dicarboxylate

PEF

PEF
Name:	DI-PALMITOYL-3-SN-PHOSPHATIDYLETHANOLAMINE
Formula:	C37 H74 N O8 P
SMILES:	O=C(OCC(OC(=O)CCCCCCCCCCCCCCC)COP(=O)(OCCN)O)CCCCCCCCCCCCCCC
InChi:	InChI=1S/C37H74NO8P/c1-3-5-7-9-11-13-15-17-19-21-23-25-27-29-36(39)43-33-35(34-45-47(41,42)44-32-31-38)46-37(40)30-28-26-24-22-20-18-16-14-12-10-8-6-4-2/h35H,3-34,38H2,1-2H3,(H,41,42)/t35-/m1/s1
Synonyms:	3-[AMINOETHYLPHOSPHORYL]-[1,2-DI-PALMITOYL]-SN-GLYCEROL
Definition date:	2000-05-24
Last modified:	2021-03-13
Identifier:	(2R)-3-{[(S)-(2-aminoethoxy)(hydroxy)phosphoryl]oxy}propane-1,2-diyl dihexadecanoate

PFA

PFA
Name:	[4-(4-HYDROXY-3-ISOPROPYL-PHENOXY)-3,5-DIMETHYL-PHENYL]-6-AZAURACIL
Formula:	C20 H21 N3 O4
SMILES:	O=C3C=NN(c2cc(c(Oc1cc(c(O)cc1)C(C)C)c(c2)C)C)C(=O)N3
InChi:	InChI=1S/C20H21N3O4/c1-11(2)16-9-15(5-6-17(16)24)27-19-12(3)7-14(8-13(19)4)23-20(26)22-18(25)10-21-23/h5-11,24H,1-4H3,(H,22,25,26)
Synonyms:	2-[4-(4-HYDROXY-3-ISOPROPYL-PHENOXY)-3,5-DIMETHYL-PHENYL]-2H-[1,2,4]TRIAZINE-3,5-DIONE
Definition date:	2002-11-18
Last modified:	2021-03-13
Identifier:	2-{4-[4-hydroxy-3-(1-methylethyl)phenoxy]-3,5-dimethylphenyl}-1,2,4-triazine-3,5(2H,4H)-dione

6WA

6WA
Name:	3-[(4-oxidanylidene-3,5-dihydropyrrolo[3,2-d]pyrimidin-7-yl)methyl-(3-phosphonopropyl)amino]propylphosphonic acid
Formula:	C13 H22 N4 O7 P2
SMILES:	O[P](O)(=O)CCCN(CCC[P](O)(O)=O)Cc1c[nH]c2C(=O)NC=Nc12
InChi:	InChI=1S/C13H22N4O7P2/c18-13-12-11(15-9-16-13)10(7-14-12)8-17(3-1-5-25(19,20)21)4-2-6-26(22,23)24/h7,9,14H,1-6,8H2,(H,15,16,18)(H2,19,20,21)(H2,22,23,24)
Synonyms:	9-[N,N-(Bis-3-phosphonopropyl)aminomethyl]-9-deazahypoxanthine
Definition date:	2016-07-08
Last modified:	2021-03-13
Release date:	2017-07-19
Identifier:	3-[(4-oxidanylidene-3,5-dihydropyrrolo[3,2-d]pyrimidin-7-yl)methyl-(3-phosphonopropyl)amino]propylphosphonic acid

6WB

6WB
Name:	2-[[(2~{S})-2,3-bis(oxidanyl)propyl]-[2-(6-oxidanylidene-1~{H}-purin-9-yl)ethyl]amino]ethylphosphonic acid
Formula:	C12 H20 N5 O6 P
SMILES:	OC[CH](O)CN(CCn1cnc2C(=O)NC=Nc12)CC[P](O)(O)=O
InChi:	InChI=1S/C12H20N5O6P/c18-6-9(19)5-16(3-4-24(21,22)23)1-2-17-8-15-10-11(17)13-7-14-12(10)20/h7-9,18-19H,1-6H2,(H,13,14,20)(H2,21,22,23)/t9-/m0/s1
Synonyms:	2-((2,3-Dihydroxypropyl)(2-(hypoxanthin-9-yl)ethyl)amino)ethylphosphonic acid
Definition date:	2016-07-08
Last modified:	2021-03-13
Release date:	2017-07-19
Identifier:	2-[[(2~{S})-2,3-bis(oxidanyl)propyl]-[2-(6-oxidanylidene-1~{H}-purin-9-yl)ethyl]amino]ethylphosphonic acid

PHH

PHH
Name:	4,5,6,7-TETRACHLORO-PHTHALIDE
Formula:	C8 H2 Cl4 O2
SMILES:	O=C1OCc2c1c(Cl)c(Cl)c(Cl)c2Cl
InChi:	InChI=1S/C8H2Cl4O2/c9-4-2-1-14-8(13)3(2)5(10)7(12)6(4)11/h1H2
Synonyms:	4,5,6,7-TETRACHLORO-3H-ISOBENZOFURAN-1-ONE
Definition date:	2000-10-25
Last modified:	2021-03-13
Identifier:	4,5,6,7-tetrachloro-2-benzofuran-1(3H)-one

PIK

PIK
Name:	(2S)-3-{[(R)-hydroxy{[(1R,2R,3S,4R,5R,6S)-2,3,6-trihydroxy-4,5-bis(phosphonooxy)cyclohexyl]oxy}phosphoryl]oxy}propane-1,2-diyl dihexadecanoate
Formula:	C41 H81 O19 P3
SMILES:	O=C(OCC(OC(=O)CCCCCCCCCCCCCCC)COP(=O)(O)OC1C(O)C(O)C(OP(=O)(O)O)C(OP(=O)(O)O)C1O)CCCCCCCCCCCCCCC
InChi:	InChI=1S/C41H81O19P3/c1-3-5-7-9-11-13-15-17-19-21-23-25-27-29-34(42)55-31-33(57-35(43)30-28-26-24-22-20-18-16-14-12-10-8-6-4-2)32-56-63(53,54)60-39-36(44)37(45)40(58-61(47,48)49)41(38(39)46)59-62(50,51)52/h33,36-41,44-46H,3-32H2,1-2H3,(H,53,54)(H2,47,48,49)(H2,50,51,52)/t33-,36+,37-,38-,39+,40+,41+/m0/s1
Synonyms:	PI(4,5)P2 dipalmitoyl (16:0,16:0)
Definition date:	2014-06-11
Last modified:	2021-03-13
Release date:	2014-07-30
Identifier:	(2S)-3-{[(R)-hydroxy{[(1R,2R,3S,4R,5R,6S)-2,3,6-trihydroxy-4,5-bis(phosphonooxy)cyclohexyl]oxy}phosphoryl]oxy}propane-1,2-diyl dihexadecanoate

PIO

PIO
Name:	[(2R)-2-octanoyloxy-3-[oxidanyl-[(1R,2R,3S,4R,5R,6S)-2,3,6-tris(oxidanyl)-4,5-diphosphonooxy-cyclohexyl]oxy-phosphoryl]oxy-propyl] octanoate
Formula:	C25 H49 O19 P3
SMILES:	O=C(OCC(OC(=O)CCCCCCC)COP(=O)(O)OC1C(O)C(O)C(OP(=O)(O)O)C(OP(=O)(O)O)C1O)CCCCCCC
InChi:	InChI=1S/C25H49O19P3/c1-3-5-7-9-11-13-18(26)39-15-17(41-19(27)14-12-10-8-6-4-2)16-40-47(37,38)44-23-20(28)21(29)24(42-45(31,32)33)25(22(23)30)43-46(34,35)36/h17,20-25,28-30H,3-16H2,1-2H3,(H,37,38)(H2,31,32,33)(H2,34,35,36)/t17-,20-,21+,22+,23-,24-,25-/m1/s1
Synonyms:	dioctanoyl l-alpha-phosphatidyl-d-myo-inositol 4,5-diphosphate
Definition date:	2000-12-01
Last modified:	2021-03-13
Identifier:	(2R)-3-{[(R)-hydroxy{[(1R,2R,3S,4R,5R,6S)-2,3,6-trihydroxy-4,5-bis(phosphonooxy)cyclohexyl]oxy}phosphoryl]oxy}propane-1,2-diyl dioctanoate

PIT

PIT
Name:	PICEATANNOL
Formula:	C14 H12 O4
SMILES:	Oc2ccc(C=Cc1cc(O)cc(O)c1)cc2O
InChi:	InChI=1S/C14H12O4/c15-11-5-10(6-12(16)8-11)2-1-9-3-4-13(17)14(18)7-9/h1-8,15-18H/b2-1+
Synonyms:	4-[(E)-2-(3,5-DIHYDROXYPHENYL)ETHENYL]BENZENE-1,2-DIOL
Definition date:	2007-07-05
Last modified:	2021-03-13
Identifier:	4-[(E)-2-(3,5-dihydroxyphenyl)ethenyl]benzene-1,2-diol

PIU

PIU
Name:	1-{2-[4-(AMINOSULFONYL)PHENYL]ETHYL}-2,4,6-TRIMETHYLPYRIDINIUM
Formula:	C16 H21 N2 O2 S
SMILES:	O=S(=O)(N)c1ccc(cc1)CC[n+]2c(cc(cc2C)C)C
InChi:	InChI=1S/C16H21N2O2S/c1-12-10-13(2)18(14(3)11-12)9-8-15-4-6-16(7-5-15)21(17,19)20/h4-7,10-11H,8-9H2,1-3H3,(H2,17,19,20)/q+1
Synonyms:	1-N-(4-SULFAMOYLPHENYL-ETHYL)-2,4,6-TRIMETHYLPYRIDINIUM
Definition date:	2005-04-22
Last modified:	2021-03-13
Identifier:	2,4,6-trimethyl-1-[2-(4-sulfamoylphenyl)ethyl]pyridinium

724

724
Name:	(5R)-5-[(5-methoxy-3-oxo-1,3-dihydro-2H-indazol-2-yl)methyl]-5-methylimidazolidine-2,4-dione
Formula:	C13 H14 N4 O4
SMILES:	COc1ccc2NN(C[C]3(C)NC(=O)NC3=O)C(=O)c2c1
InChi:	InChI=1S/C13H14N4O4/c1-13(11(19)14-12(20)15-13)6-17-10(18)8-5-7(21-2)3-4-9(8)16-17/h3-5,16H,6H2,1-2H3,(H2,14,15,19,20)/t13-/m1/s1
Synonyms:	5-[(1,3-DIHYDRO-5-METHOXY-3-OXO-2H-INDAZOL-2-YL)METHYL]-5-METHYL-2,4-IMIDAZOLIDINEDIONE
Definition date:	2009-12-14
Last modified:	2021-03-13
Identifier:	(5R)-5-[(5-methoxy-3-oxo-1H-indazol-2-yl)methyl]-5-methyl-imidazolidine-2,4-dione

72D

72D
Name:	4-(phenyl)-benzenesulfonamide
Formula:	C12 H11 N O2 S
SMILES:	c1cc(S(=O)(=O)N)ccc1c2ccccc2
InChi:	InChI=1S/C12H11NO2S/c13-16(14,15)12-8-6-11(7-9-12)10-4-2-1-3-5-10/h1-9H,(H2,13,14,15)
Synonyms:	[1,1'-biphenyl]-4-sulfonamide
Definition date:	2016-08-15
Last modified:	2021-03-13
Release date:	2016-12-21
Identifier:	[1,1'-biphenyl]-4-sulfonamide

CA2

CA2
Name:	(1S,3R,4R,5S)-1,3,4-TRIHYDROXY-5-(3-PHENOXYPROPYL)CYCLOHEXANECARBOXYLIC ACID
Formula:	C16 H22 O6
SMILES:	O=C(O)C2(O)CC(O)C(O)C(CCCOc1ccccc1)C2
InChi:	InChI=1S/C16H22O6/c17-13-10-16(21,15(19)20)9-11(14(13)18)5-4-8-22-12-6-2-1-3-7-12/h1-3,6-7,11,13-14,17-18,21H,4-5,8-10H2,(H,19,20)/t11-,13+,14+,16-/m0/s1
Synonyms:	1,3,4-TRIHYDROXY-5-(3-PHENOXYPROPYL)-CYCLOHEXANE-1-CARBOXYLIC ACID
Definition date:	2005-05-26
Last modified:	2021-03-13
Identifier:	(1S,3R,4R,5S)-1,3,4-trihydroxy-5-(3-phenoxypropyl)cyclohexanecarboxylic acid

CAK

CAK
Name:	[(1R,2R,3S,4S,5R)-2,3,4,5-TETRAHYDROXYCYCLOHEXYL]METHYL DIHYDROGEN PHOSPHATE
Formula:	C7 H15 O8 P
SMILES:	O=P(O)(O)OCC1CC(O)C(O)C(O)C1O
InChi:	InChI=1S/C7H15O8P/c8-4-1-3(2-15-16(12,13)14)5(9)7(11)6(4)10/h3-11H,1-2H2,(H2,12,13,14)/t3-,4-,5-,6+,7+/m1/s1
Synonyms:	[(1R,2R,3S,4S,5R)-2,3,4,5-TETRAHYDROXYCYCLOHEXYL]METHYL PHOSPHORIC ACID
Definition date:	2006-05-01
Last modified:	2021-03-13
Identifier:	[(1R,2R,3S,4S,5R)-2,3,4,5-tetrahydroxycyclohexyl]methyl dihydrogen phosphate

CAX

CAX
Name:	(2S,4S)-4-(2,2-DIHYDROXYETHYL)-2,3,3-TRIMETHYLCYCLOPENTANONE
Formula:	C10 H18 O3
SMILES:	O=C1C(C)C(C)(C)C(CC(O)O)C1
InChi:	InChI=1S/C10H18O3/c1-6-8(11)4-7(5-9(12)13)10(6,2)3/h6-7,9,12-13H,4-5H2,1-3H3/t6-,7+/m1/s1
Synonyms:	(2S,4S)-ALPHA-CAMPHOLINIC ACID
Definition date:	2004-04-22
Last modified:	2021-03-13
Identifier:	(2S,4R)-4-(2,2-dihydroxyethyl)-2,3,3-trimethylcyclopentanone

CC9

CC9
Name:	curcumin
Formula:	C21 H20 O6
SMILES:	O=C(C=Cc1ccc(O)c(OC)c1)CC(=O)C=Cc2cc(OC)c(O)cc2
InChi:	InChI=1S/C21H20O6/c1-26-20-11-14(5-9-18(20)24)3-7-16(22)13-17(23)8-4-15-6-10-19(25)21(12-15)27-2/h3-12,24-25H,13H2,1-2H3/b7-3+,8-4+
Synonyms:	(1E,6E)-1,7-bis(4-hydroxy-3-methoxyphenyl)hepta-1,6-diene-3,5-dione
Definition date:	2013-04-19
Last modified:	2021-03-13
Release date:	2019-08-28
Identifier:	(1E,6E)-1,7-bis(4-hydroxy-3-methoxyphenyl)hepta-1,6-diene-3,5-dione

CCQ

CCQ
Name:	L-CARNITINYL-COA INNER SALT
Formula:	C28 H49 N8 O18 P3 S
SMILES:	CC(C)(CO[P]([O-])(=O)O[P](O)(=O)OC[CH]1O[CH]([CH](O)[CH]1O[P](O)(O)=O)n2cnc3c(N)ncnc23)[CH](O)C(=O)NCCC(=O)NCCSC(=O)C[CH](O)C[N+](C)(C)C
InChi:	InChI=1S/C28H49N8O18P3S/c1-28(2,23(41)26(42)31-7-6-18(38)30-8-9-58-19(39)10-16(37)11-36(3,4)5)13-51-57(48,49)54-56(46,47)50-12-17-22(53-55(43,44)45)21(40)27(52-17)35-15-34-20-24(29)32-14-33-25(20)35/h14-17,21-23,27,37,40-41H,6-13H2,1-5H3,(H7-,29,30,31,32,33,38,42,43,44,45,46,47,48,49)/t16-,17-,21-,22-,23+,27-/m1/s1
Synonyms:	O5'-(4-(3-{2-[2-((R)-3-HYDROXY-4-(TRIMETHYLAMMONIO)-1-OXO-BUTYL)SULFANYL-ETHYLCARBAMOYL]-ETHYLCARBAMOYL}-(R)-3-HYDROXY-2,2-DIMETHYL-PROPYL)-1-HYDROXY-3-OXIDO-1,3-DIOXO-2,4-DIOXA-1,3-DIPHOSPHABUT-1-YL) 3'-PHOSPHO-ADENOSINE
Definition date:	2004-11-11
Last modified:	2021-03-13
Identifier:	[[(2R,3S,4R,5R)-5-(6-aminopurin-9-yl)-4-hydroxy-3-phosphonooxy-oxolan-2-yl]methoxy-hydroxy-phosphoryl] [(3R)-3-hydroxy-4-[[3-[2-[(3R)-3-hydroxy-4-trimethylazaniumyl-butanoyl]sulfanylethylamino]-3-oxo-propyl]amino]-2,2-dimethyl-4-oxo-butyl] phosphate

OYE

OYE
Name:	bn7GpppG mRNA 5' cap analog
Formula:	C27 H31 N10 O18 P3
SMILES:	NC1=Nc2n(cnc2C(=O)N1)[CH]3O[CH](CO[P]([O-])(=O)O[P]([O-])(=O)O[P]([O-])(=O)OC[CH]4O[CH]([CH](O)[CH]4O)n5c[n+](Cc6ccccc6)c7C(=O)N=C(N)Nc57)[CH](O)[CH]3O
InChi:	InChI=1S/C27H33N10O18P3/c28-26-31-20-14(22(42)33-26)30-9-36(20)24-18(40)16(38)12(52-24)7-50-56(44,45)54-58(48,49)55-57(46,47)51-8-13-17(39)19(41)25(53-13)37-10-35(6-11-4-2-1-3-5-11)15-21(37)32-27(29)34-23(15)43/h1-5,9-10,12-13,16-19,24-25,38-41H,6-8H2,(H8-,28,29,31,32,33,34,42,43,44,45,46,47,48,49)/p-2/t12-,13-,16-,17-,18-,19-,24-,25-/m1/s1
Synonyms:	[[(2~{R},3~{S},4~{R},5~{R})-5-[2-azanyl-6-oxidanylidene-7-(phenylmethyl)-3~{H}-purin-9-yl]-3,4-bis(oxidanyl)oxolan-2-yl]methoxy-oxidanyl-phosphoryl] [[(2~{R},3~{S},4~{R},5~{R})-5-(2-azanyl-6-oxidanylidene-1~{H}-purin-9-yl)-3,4-bis(oxidanyl)oxolan-2-yl]methoxy-oxidanyl-phosphoryl] hydrogen phosphate
Definition date:	2020-04-07
Last modified:	2021-03-13
Release date:	2020-04-15
Identifier:	[[(2~{R},3~{S},4~{R},5~{R})-5-[2-azanyl-6-oxidanylidene-7-(phenylmethyl)-3~{H}-purin-7-ium-9-yl]-3,4-bis(oxidanyl)oxolan-2-yl]methoxy-oxidanidyl-phosphoryl] [[(2~{R},3~{S},4~{R},5~{R})-5-(2-azanyl-6-oxidanylidene-1~{H}-purin-9-yl)-3,4-bis(oxidanyl)oxolan-2-yl]methoxy-oxidanidyl-phosphoryl] phosphate

OYW

OYW
Name:	4-Cl-Bn7GpppG mRNA 5' cap analog
Formula:	C27 H33 Cl N10 O18 P3
SMILES:	NC1=Nc2n(cnc2C(=O)N1)C3OC(CO[P](O)(=O)O[P](O)(=O)O[P](O)(=O)OC[CH]4O[CH]([CH](O)[CH]4O)n5c[n+](Cc6ccc(Cl)cc6)c7C(=O)NC(=Nc57)N)C(O)C3O
InChi:	InChI=1S/C27H32ClN10O18P3/c28-11-3-1-10(2-4-11)5-36-9-38(21-15(36)23(44)35-27(30)33-21)25-19(42)17(40)13(54-25)7-52-58(47,48)56-59(49,50)55-57(45,46)51-6-12-16(39)18(41)24(53-12)37-8-31-14-20(37)32-26(29)34-22(14)43/h1-4,8-9,12-13,16-19,24-25,39-42H,5-7H2,(H8-,29,30,32,33,34,35,43,44,45,46,47,48,49,50)/p+1/t12?,13-,16?,17-,18?,19-,24?,25-/m1/s1
Synonyms:	[[(2~{R},3~{S},4~{R},5~{R})-5-[2-azanyl-7-[(4-chlorophenyl)methyl]-6-oxidanylidene-1~{H}-purin-9-yl]-3,4-bis(oxidanyl)oxolan-2-yl]methoxy-oxidanyl-phosphoryl] phosphono hydrogen phosphate
Definition date:	2020-04-08
Last modified:	2021-03-13
Release date:	2020-06-10
Identifier:	[[(2~{R},3~{S},4~{R},5~{R})-5-[2-azanyl-7-[(4-chlorophenyl)methyl]-6-oxidanylidene-1~{H}-purin-7-ium-9-yl]-3,4-bis(oxidanyl)oxolan-2-yl]methoxy-oxidanyl-phosphoryl] [[5-(2-azanyl-6-oxidanylidene-1~{H}-purin-9-yl)-3,4-bis(oxidanyl)oxolan-2-yl]methoxy-oxidanyl-phosphoryl] hydrogen phosphate

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