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PDB Info pages Status search Chemie search: 36438 results BIRD

3LU

3LU
Name:	1-({(2R)-4-carboxy-2-[(R)-carboxy{[(2R)-2-phenyl-2-sulfoacetyl]amino}methyl]-3,6-dihydro-2H-1,3-thiazin-5-yl}methyl)pyr idinium
Formula:	C21 H22 N3 O8 S2
SMILES:	O=S(=O)(O)C(c1ccccc1)C(=O)NC(C(=O)O)C2SCC(=C(N2)C(=O)O)C[n+]3ccccc3
InChi:	InChI=1S/C21H21N3O8S2/c25-18(17(34(30,31)32)13-7-3-1-4-8-13)22-16(21(28)29)19-23-15(20(26)27)14(12-33-19)11-24-9-5-2-6-10-24/h1-10,16-17,19,23H,11-12H2,(H3-,22,25,26,27,28,29,30,31,32)/p+1/t16-,17+,19+/m0/s1
Synonyms:	Cefsulodin, bound form
Definition date:	2014-09-19
Last modified:	2020-06-17
Release date:	2015-07-01
Identifier:	1-({(2R)-4-carboxy-2-[(R)-carboxy{[(2R)-2-phenyl-2-sulfoacetyl]amino}methyl]-3,6-dihydro-2H-1,3-thiazin-5-yl}methyl)pyridinium

N34

N34
Name:	N-{3-[1-(3,3-Dimethyl-butyl)-4-hydroxy-2-oxo-1,2,4a,5,6,7-hexahydro-pyrrolo[1,2-b]pyridazin-3-yl]-1,1-dioxo-1,2-dihydro -1lambda6-benzo[1,2,4]thiadiazin-7-yl}-methanesulfonamide
Formula:	C21 H29 N5 O6 S2
SMILES:	O=S(=O)(Nc1ccc2N=C(NS(=O)(=O)c2c1)C3=C(O)C4N(N(C3=O)CCC(C)(C)C)CCC4)C
InChi:	InChI=1S/C21H29N5O6S2/c1-21(2,3)9-11-26-20(28)17(18(27)15-6-5-10-25(15)26)19-22-14-8-7-13(23-33(4,29)30)12-16(14)34(31,32)24-19/h7-8,12,15,23,27H,5-6,9-11H2,1-4H3,(H,22,24)/t15-/m0/s1
Synonyms:	N-{3-[(4aS)-1-(3,3-dimethylbutyl)-4-hydroxy-2-oxo-1,2,4a,5,6,7-hexahydropyrrolo[1,2-b]pyridazin-3-yl]-1,1-dioxido-2H-1, 2,4-benzothiadiazin-7-yl}methanesulfonamide
Definition date:	2008-05-01
Last modified:	2020-06-17
Identifier:	N-{3-[(4aS)-1-(3,3-dimethylbutyl)-4-hydroxy-2-oxo-1,2,4a,5,6,7-hexahydropyrrolo[1,2-b]pyridazin-3-yl]-1,1-dioxido-2H-1,2,4-benzothiadiazin-7-yl}methanesulfonamide

N38

N38
Name:	3-cyclohexyl-N-{(2S)-1-hydroxy-3-[(3S)-2-oxopyrrolidin-3-yl]propan-2-yl}-N~2~-{[3-(4-methoxyphenoxy)propyl]sulfonyl}-L- alaninamide
Formula:	C26 H41 N3 O7 S
SMILES:	COc3ccc(OCCCS(NC(CC1CCCCC1)C(NC(CO)CC2CCNC2=O)=O)(=O)=O)cc3
InChi:	InChI=1S/C26H41N3O7S/c1-35-22-8-10-23(11-9-22)36-14-5-15-37(33,34)29-24(16-19-6-3-2-4-7-19)26(32)28-21(18-30)17-20-12-13-27-25(20)31/h8-11,19-21,24,29-30H,2-7,12-18H2,1H3,(H,27,31)(H,28,32)/t20-,21-,24-/m0/s1
Synonyms:	3-cyclohexyl-N~2~-{[3-(4-methoxyphenoxy)propyl]sulfonyl}-N-{(2S)-1-oxo-3-[(3S)-2-oxopyrrolidin-3-yl]propan-2-yl}-L-alan inamide (bound form)
Definition date:	2016-09-12
Last modified:	2020-06-17
Release date:	2016-11-23
Identifier:	3-cyclohexyl-N-{(2S)-1-hydroxy-3-[(3S)-2-oxopyrrolidin-3-yl]propan-2-yl}-N~2~-{[3-(4-methoxyphenoxy)propyl]sulfonyl}-L-alaninamide

N3A

N3A
Name:	2,4-dihydroxy-3-({3-[(2R,4aR,8S,8aR,9R)-9-hydroxy-8-methyl-3-methylidene-7-oxo-1,3,4,7,8,8a-hexahydro-2H-2,4a-ethanonap hthalen-8-yl]propanoyl}amino)benzoic acid
Formula:	C24 H27 N O7
SMILES:	O=C(O)c1c(O)c(c(O)cc1)NC(=O)CCC4(C(=O)C=CC32C/C(=C)C(CC2O)CC34)C
InChi:	InChI=1S/C24H27NO7/c1-12-11-24-8-5-17(27)23(2,16(24)9-13(12)10-18(24)28)7-6-19(29)25-20-15(26)4-3-14(21(20)30)22(31)32/h3-5,8,13,16,18,26,28,30H,1,6-7,9-11H2,2H3,(H,25,29)(H,31,32)/t13-,16+,18-,23+,24+/m1/s1
Synonyms:	Platencin A1
Definition date:	2009-06-03
Last modified:	2020-06-17
Identifier:	2,4-dihydroxy-3-({3-[(2R,4aR,8S,8aR,9R)-9-hydroxy-8-methyl-3-methylidene-7-oxo-1,3,4,7,8,8a-hexahydro-2H-2,4a-ethanonaphthalen-8-yl]propanoyl}amino)benzoic acid

N4P

N4P
Name:	N,N-bis(3-aminopropyl)butane-1,4-diamine
Formula:	C10 H26 N4
SMILES:	NCCCCN(CCCN)CCCN
InChi:	InChI=1S/C10H26N4/c11-5-1-2-8-14(9-3-6-12)10-4-7-13/h1-13H2
Synonyms:	N4-aminopropylspermidine
Definition date:	2016-02-26
Last modified:	2020-06-17
Release date:	2018-08-15
Identifier:	~{N}',~{N}'-bis(3-azanylpropyl)butane-1,4-diamine

N5A

N5A
Name:	5'-N-[(2-AMINO)ETHYL CARBOXAMIDO] ADENOSINE
Formula:	C12 H17 N7 O4
SMILES:	O=C(NCCN)C3OC(n2cnc1c(ncnc12)N)C(O)C3O
InChi:	InChI=1S/C12H17N7O4/c13-1-2-15-11(22)8-6(20)7(21)12(23-8)19-4-18-5-9(14)16-3-17-10(5)19/h3-4,6-8,12,20-21H,1-2,13H2,(H,15,22)(H2,14,16,17)/t6-,7+,8-,12+/m0/s1
Synonyms:	(2S,3S,4R,5R)-N-(2-AMINOETHYL)-5-(6-AMINO-9H-PURIN-9-YL)-3,4-DIHYDROXYTETRAHYDROFURAN-2-CARBOXAMIDE
Definition date:	2006-06-26
Last modified:	2020-06-17
Identifier:	(2S,3S,4R,5R)-N-(2-aminoethyl)-5-(6-amino-9H-purin-9-yl)-3,4-dihydroxytetrahydrofuran-2-carboxamide (non-preferred name)

N5N

N5N
Name:	2-[[(2S)-4-[[(3S)-1-carbamimidoylpiperidin-3-yl]methylamino]-2-(naphthalen-2-ylsulfonylamino)-4-oxidanylidene-butanoyl] -cyclopropyl-amino]ethanoic acid
Formula:	C26 H34 N6 O6 S
SMILES:	O=C(O)CN(C(=O)C(NS(=O)(=O)c2cc1ccccc1cc2)CC(=O)NCC3CCCN(C(=[N@H])N)C3)C4CC4
InChi:	InChI=1S/C26H34N6O6S/c27-26(28)31-11-3-4-17(15-31)14-29-23(33)13-22(25(36)32(16-24(34)35)20-8-9-20)30-39(37,38)21-10-7-18-5-1-2-6-19(18)12-21/h1-2,5-7,10,12,17,20,22,30H,3-4,8-9,11,13-16H2,(H3,27,28)(H,29,33)(H,34,35)/t17-,22-/m0/s1
Synonyms:	NAPSAGATRAN
Definition date:	2012-06-11
Last modified:	2020-06-17
Identifier:	N-{[(3S)-1-carbamimidoylpiperidin-3-yl]methyl}-N~2~-(naphthalen-2-ylsulfonyl)-L-asparaginyl-N-cyclopropylglycine

N5O

N5O
Name:	5'-N-(2-HYDROXYL)ETHYL CARBOXYAMIDO ADENOSINE
Formula:	C12 H16 N6 O5
SMILES:	O=C(NCCO)C3OC(n2cnc1c(ncnc12)N)C(O)C3O
InChi:	InChI=1S/C12H16N6O5/c13-9-5-10(16-3-15-9)18(4-17-5)12-7(21)6(20)8(23-12)11(22)14-1-2-19/h3-4,6-8,12,19-21H,1-2H2,(H,14,22)(H2,13,15,16)/t6-,7+,8-,12+/m0/s1
Synonyms:	(2S,3S,4R,5R)-5-(6-AMINO-9H-PURIN-9-YL)-3,4-DIHYDROXY-N-(2-HYDROXYETHYL)TETRAHYDROFURAN-2-CARBOXAMIDE
Definition date:	2006-06-28
Last modified:	2020-06-17
Identifier:	(2S,3S,4R,5R)-5-(6-amino-9H-purin-9-yl)-3,4-dihydroxy-N-(2-hydroxyethyl)tetrahydrofuran-2-carboxamide (non-preferred name)

N5P

N5P
Name:	1-{2-DEOXY-5-O-[(R)-HYDROXY{[(R)-HYDROXY(PHOSPHONOOXY)PHOSPHORYL]OXY}PHOSPHORYL]-BETA-D-ERYTHRO-PENTOFURANOSYL}-5-NITRO -1H-INDOLE
Formula:	C13 H17 N2 O14 P3
SMILES:	[O-][N+](=O)c2cc1ccn(c1cc2)C3OC(C(O)C3)COP(=O)(O)OP(=O)(O)OP(=O)(O)O
InChi:	InChI=1S/C13H17N2O14P3/c16-11-6-13(14-4-3-8-5-9(15(17)18)1-2-10(8)14)27-12(11)7-26-31(22,23)29-32(24,25)28-30(19,20)21/h1-5,11-13,16H,6-7H2,(H,22,23)(H,24,25)(H2,19,20,21)/t11-,12+,13+/m0/s1
Synonyms:	5-NITRO-1-INDOLYL-2'-DEOXYRIBOSIDE-5'-TRIPHOSPHATE
Definition date:	2007-03-21
Last modified:	2020-06-17
Identifier:	1-{2-deoxy-5-O-[(R)-hydroxy{[(R)-hydroxy(phosphonooxy)phosphoryl]oxy}phosphoryl]-beta-D-erythro-pentofuranosyl}-5-nitro-1H-indole

N69

N69
Name:	6-(CYCLOHEXYLMETHOXY)-8-ISOPROPYL-9H-PURIN-2-AMINE
Formula:	C15 H23 N5 O
SMILES:	n2c(OCC1CCCCC1)c3nc(nc3nc2N)C(C)C
InChi:	InChI=1S/C15H23N5O/c1-9(2)12-17-11-13(18-12)19-15(16)20-14(11)21-8-10-6-4-3-5-7-10/h9-10H,3-8H2,1-2H3,(H3,16,17,18,19,20)
Synonyms:	INHIBITOR OF CDK2
Definition date:	2004-09-20
Last modified:	2020-06-17
Identifier:	6-(cyclohexylmethoxy)-8-(1-methylethyl)-9H-purin-2-amine

N6P

N6P
Name:	6-(naphthalen-2-yl)-9-(5-O-phosphono-beta-D-ribofuranosyl)-9H-purine
Formula:	C20 H19 N4 O7 P
SMILES:	O=P(O)(O)OCC5OC(n2cnc1c(ncnc12)c4cc3ccccc3cc4)C(O)C5O
InChi:	InChI=1S/C20H19N4O7P/c25-17-14(8-30-32(27,28)29)31-20(18(17)26)24-10-23-16-15(21-9-22-19(16)24)13-6-5-11-3-1-2-4-12(11)7-13/h1-7,9-10,14,17-18,20,25-26H,8H2,(H2,27,28,29)/t14-,17-,18-,20-/m1/s1
Synonyms:	6-Naphthylpurine riboside 5'-monophosphate
Definition date:	2014-03-21
Last modified:	2020-06-17
Release date:	2014-08-20
Identifier:	6-(naphthalen-2-yl)-9-(5-O-phosphono-beta-D-ribofuranosyl)-9H-purine

N6S

N6S
Name:	(2S)-N6-(1-Methyl-2-phenylethyl)adenosine-3',5'-cyclic monophosphate
Formula:	C19 H22 N5 O6 P
SMILES:	O=P4(OCC5OC(n2c3ncnc(NC(C)Cc1ccccc1)c3nc2)C(O)C5O4)O
InChi:	InChI=1S/C19H22N5O6P/c1-11(7-12-5-3-2-4-6-12)23-17-14-18(21-9-20-17)24(10-22-14)19-15(25)16-13(29-19)8-28-31(26,27)30-16/h2-6,9-11,13,15-16,19,25H,7-8H2,1H3,(H,26,27)(H,20,21,23)/t11-,13-,15+,16-,19+/m0/s1
Synonyms:	(2S,4aS,6R,7R,7aR)-6-(6-{[(1S)-1-methyl-2-phenylethyl]amino}-9H-purin-9-yl)tetrahydro-4H-furo[3,2-d][1,3,2]dioxaphosphi nine-2,7-diol 2-oxide
Definition date:	2009-07-08
Last modified:	2020-06-17
Identifier:	(2S,4aS,6R,7R,7aR)-6-(6-{[(1S)-1-methyl-2-phenylethyl]amino}-9H-purin-9-yl)tetrahydro-4H-furo[3,2-d][1,3,2]dioxaphosphinine-2,7-diol 2-oxide

N8E

N8E
Name:	3,6,9,12,15-PENTAOXATRICOSAN-1-OL
Formula:	C18 H38 O6
SMILES:	O(CCO)CCOCCOCCOCCOCCCCCCCC
InChi:	InChI=1S/C18H38O6/c1-2-3-4-5-6-7-9-20-11-13-22-15-17-24-18-16-23-14-12-21-10-8-19/h19H,2-18H2,1H3
Synonyms:	N-OCTYLPENTAOXYETHYLENE
Definition date:	2004-05-18
Last modified:	2020-06-17
Identifier:	3,6,9,12,15-pentaoxatricosan-1-ol

NA9

NA9
Name:	N-(CARBOXYMETHYL)-3-CYCLOHEXYL-D-ALANYL-N-({6-[AMINO(IMINO)METHYL]PYRIDIN-3-YL}METHYL)-N~2~-METHYL-L-ALANINAMIDE
Formula:	C22 H34 N6 O4
SMILES:	O=C(O)CNC(C(=O)N(C)C(C(=O)NCc1cnc(C(=[N@H])N)cc1)C)CC2CCCCC2
InChi:	InChI=1S/C22H34N6O4/c1-14(21(31)27-12-16-8-9-17(20(23)24)25-11-16)28(2)22(32)18(26-13-19(29)30)10-15-6-4-3-5-7-15/h8-9,11,14-15,18,26H,3-7,10,12-13H2,1-2H3,(H3,23,24)(H,27,31)(H,29,30)/t14-,18+/m0/s1
Synonyms:	2-((R)-1-(((S)-1-((6-CARBAMIMIDOYLPYRIDIN-3-YL)METHYLAMINO)-1-OXOPROPAN-2-YL)(METHYL)AMINO)-3-CYCLOHEXYL-1-OXOPROPAN-2- YLAMINO)ACETIC ACID
Definition date:	2006-10-27
Last modified:	2020-06-17
Identifier:	N-(carboxymethyl)-3-cyclohexyl-D-alanyl-N-[(6-carbamimidoylpyridin-3-yl)methyl]-N~2~-methyl-L-alaninamide

NAP

NAP
Name:	NADP NICOTINAMIDE-ADENINE-DINUCLEOTIDE PHOSPHATE
Formula:	C21 H28 N7 O17 P3
SMILES:	NC(=O)c1ccc[n+](c1)[CH]2O[CH](CO[P]([O-])(=O)O[P](O)(=O)OC[CH]3O[CH]([CH](O[P](O)(O)=O)[CH]3O)n4cnc5c(N)ncnc45)[CH](O)[CH]2O
InChi:	InChI=1S/C21H28N7O17P3/c22-17-12-19(25-7-24-17)28(8-26-12)21-16(44-46(33,34)35)14(30)11(43-21)6-41-48(38,39)45-47(36,37)40-5-10-13(29)15(31)20(42-10)27-3-1-2-9(4-27)18(23)32/h1-4,7-8,10-11,13-16,20-21,29-31H,5-6H2,(H7-,22,23,24,25,32,33,34,35,36,37,38,39)/t10-,11-,13-,14-,15-,16-,20-,21-/m1/s1
Synonyms:	2'-MONOPHOSPHOADENOSINE 5'-DIPHOSPHORIBOSE
Definition date:	1999-07-08
Last modified:	2020-06-17
Identifier:	[(2R,3S,4R,5R)-5-(3-aminocarbonylpyridin-1-ium-1-yl)-3,4-dihydroxy-oxolan-2-yl]methyl [[(2R,3R,4R,5R)-5-(6-aminopurin-9-yl)-3-hydroxy-4-phosphonooxy-oxolan-2-yl]methoxy-hydroxy-phosphoryl] phosphate

NAT

NAT
Name:	ETHYL 4-(3-HYDROXYPHENYL)-6-METHYL-2-THIOXO-1,2,3,4-TETRAHYDROPYRIMIDINE-5-CARBOXYLATE
Formula:	C14 H16 N2 O3 S
SMILES:	S=C2NC(c1cc(O)ccc1)C(=C(N2)C)C(=O)OCC
InChi:	InChI=1S/C14H16N2O3S/c1-3-19-13(18)11-8(2)15-14(20)16-12(11)9-5-4-6-10(17)7-9/h4-7,12,17H,3H2,1-2H3,(H2,15,16,20)/t12-/m0/s1
Synonyms:	MONASTROL
Definition date:	2003-07-21
Last modified:	2020-06-17
Identifier:	ethyl (4S)-4-(3-hydroxyphenyl)-6-methyl-2-thioxo-1,2,3,4-tetrahydropyrimidine-5-carboxylate

NAZ

NAZ
Name:	N~3~-{3-[(7-METHYL-1,8-NAPHTHYRIDIN-2-YL)AMINO]-3-OXOPROPYL}-N~1~-[(7-OXO-7,8-DIHYDRO-1,8-NAPHTHYRIDIN-2-YL)METHYL]-BET A-ALANINAMIDE
Formula:	C24 H25 N7 O3
SMILES:	O=C(Nc1nc2nc(ccc2cc1)C)CCNCCC(=O)NCc4nc3c(C=CC(=O)N3)cc4
InChi:	InChI=1S/C24H25N7O3/c1-15-2-3-16-5-8-19(30-23(16)27-15)29-22(34)11-13-25-12-10-20(32)26-14-18-7-4-17-6-9-21(33)31-24(17)28-18/h2-9,25H,10-14H2,1H3,(H,26,32)(H,28,31,33)(H,27,29,30,34)
Synonyms:	NAPHTYRIDINE-AZAQUINOLONE
Definition date:	2005-04-25
Last modified:	2020-06-17
Identifier:	3-({3-[(7-methyl-1,8-naphthyridin-2-yl)amino]-3-oxopropyl}amino)-N-[(7-oxo-7,8-dihydro-1,8-naphthyridin-2-yl)methyl]propanamide (non-preferred name)

NBO

NBO
Name:	nabumetone
Formula:	C15 H16 O2
SMILES:	O=C(C)CCc1ccc2c(c1)ccc(OC)c2
InChi:	InChI=1S/C15H16O2/c1-11(16)3-4-12-5-6-14-10-15(17-2)8-7-13(14)9-12/h5-10H,3-4H2,1-2H3
Synonyms:	4-(6-methoxynaphthalen-2-yl)butan-2-one
Definition date:	2011-08-11
Last modified:	2020-06-17
Identifier:	4-(6-methoxynaphthalen-2-yl)butan-2-one

NC7

NC7
Name:	7-{[(CYCLOHEXYLAMINO)CARBONYL]AMINO}HEPTANOIC ACID
Formula:	C14 H26 N2 O3
SMILES:	O=C(NC1CCCCC1)NCCCCCCC(=O)O
InChi:	InChI=1S/C14H26N2O3/c17-13(18)10-6-1-2-7-11-15-14(19)16-12-8-4-3-5-9-12/h12H,1-11H2,(H,17,18)(H2,15,16,19)
Synonyms:	4-(3-CYCLOHEXYLURIEDO)-HEPTANOIC ACID
Definition date:	2005-04-21
Last modified:	2020-06-17
Identifier:	7-[(cyclohexylcarbamoyl)amino]heptanoic acid

NCL

NCL
Name:	3,6-Bis{3-(3-[(3R)-methylpiperidino)]propionamido}acridine
Formula:	C31 H41 N5 O2
SMILES:	O=C(Nc3cc2nc1cc(ccc1cc2cc3)NC(=O)CCN4CCCC(C4)C)CCN5CCCC(C)C5
InChi:	InChI=1S/C31H41N5O2/c1-22-5-3-13-35(20-22)15-11-30(37)32-26-9-7-24-17-25-8-10-27(19-29(25)34-28(24)18-26)33-31(38)12-16-36-14-4-6-23(2)21-36/h7-10,17-19,22-23H,3-6,11-16,20-21H2,1-2H3,(H,32,37)(H,33,38)/t22-,23-/m1/s1
Synonyms:	N,N'-acridine-3,6-diylbis{3-[(3R)-3-methylpiperidin-1-yl]propanamide}
Definition date:	2008-10-08
Last modified:	2020-06-17
Identifier:	N,N'-acridine-3,6-diylbis{3-[(3R)-3-methylpiperidin-1-yl]propanamide}

NCN

NCN
Name:	NICOTINATE MONONUCLEOTIDE
Formula:	C11 H14 N O9 P
SMILES:	[O-]P(=O)(O)OCC2OC([n+]1cc(ccc1)C(=O)O)C(O)C2O
InChi:	InChI=1S/C11H14NO9P/c13-8-7(5-20-22(17,18)19)21-10(9(8)14)12-3-1-2-6(4-12)11(15)16/h1-4,7-10,13-14H,5H2,(H2-,15,16,17,18,19)/t7-,8-,9-,10-/m1/s1
Synonyms:	NAMN
Definition date:	1999-07-08
Last modified:	2020-06-17
Identifier:	3-carboxy-1-[5-O-(hydroxyphosphinato)-beta-D-ribofuranosyl]pyridinium

NDN

NDN
Name:	2'-DEOXY-5-NITROURIDINE 5'-(DIHYDROGEN PHOSPHATE)
Formula:	C9 H12 N3 O10 P
SMILES:	[O-][N+](=O)C=1C(=O)NC(=O)N(C=1)C2OC(C(O)C2)COP(=O)(O)O
InChi:	InChI=1S/C9H12N3O10P/c13-5-1-7(22-6(5)3-21-23(18,19)20)11-2-4(12(16)17)8(14)10-9(11)15/h2,5-7,13H,1,3H2,(H,10,14,15)(H2,18,19,20)/t5-,6+,7+/m0/s1
Synonyms:	[(2R,3S,5R)-3-HYDROXY-5-(5-NITRO-2,4-DIOXO-PYRIMIDIN-1-YL)OXOLAN-2-YL]METHYL DIHYDROGEN PHOSPHATE
Definition date:	2007-11-07
Last modified:	2020-06-17
Identifier:	2'-deoxy-5-nitrouridine 5'-(dihydrogen phosphate)

OP1

OP1
Name:	1-[(1S)-4-carbamimidamido-1-carboxybutyl]-5-oxo-D-proline
Formula:	C11 H18 N4 O5
SMILES:	O=C(O)C(N1C(=O)CCC1C(=O)O)CCCNC(=[N@H])N
InChi:	InChI=1S/C11H18N4O5/c12-11(13)14-5-1-2-6(9(17)18)15-7(10(19)20)3-4-8(15)16/h6-7H,1-5H2,(H,17,18)(H,19,20)(H4,12,13,14)/t6-,7+/m0/s1
Synonyms:	Pyronopaline
Definition date:	2014-02-28
Last modified:	2020-06-17
Release date:	2014-10-22
Identifier:	1-[(1S)-4-carbamimidamido-1-carboxybutyl]-5-oxo-D-proline

OPD

OPD
Name:	9R,13R-12-OXOPHYTODIENOIC ACID
Formula:	C18 H28 O3
SMILES:	O=C1C=CC(CCCCCCCC(=O)O)C1C/C=C/CC
InChi:	InChI=1S/C18H28O3/c1-2-3-7-11-16-15(13-14-17(16)19)10-8-5-4-6-9-12-18(20)21/h3,7,13-16H,2,4-6,8-12H2,1H3,(H,20,21)/t15-,16-/m1/s1
Synonyms:	9R,13R-OPDA
Definition date:	2001-04-06
Last modified:	2020-06-17
Identifier:	8-[(1R,5R)-4-oxo-5-pent-2-en-1-ylcyclopent-2-en-1-yl]octanoic acid

61N

61N
Name:	6-hydroxynaphthalene-1-carboxylic acid
Formula:	C11 H8 O3
SMILES:	O=C(O)c1cccc2c1ccc(O)c2
InChi:	InChI=1S/C11H8O3/c12-8-4-5-9-7(6-8)2-1-3-10(9)11(13)14/h1-6,12H,(H,13,14)
Synonyms:	6-HYDROXY-1-NAPHTHOIC ACID
Definition date:	2013-08-22
Last modified:	2020-06-17
Release date:	2013-09-04
Identifier:	6-hydroxynaphthalene-1-carboxylic acid

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