PMN

PLATENSIMYCIN

Created:	2006-04-19
Last modified:	2011-06-04

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3 entries where PMN is found as a standalone ligand

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Chemical Details
Formal Charge	0
Atom Count	59
Chiral Atom Count	6
Bond Count	63
Aromatic Bond Count	6

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Chemical Component Summary
Name	PLATENSIMYCIN
Systematic Name (OpenEye OEToolkits)	n/a
Formula	C₂₄ H₂₇ N O₇
Molecular Weight	441.474
Type	NON-POLYMER

Chemical Descriptors
Type	Program	Version	Descriptor
SMILES	ACDLabs	10.04	O=C(O)c1c(O)c(c(O)cc1)NC(=O)CCC4(C(=O)C=CC53CC2(OC(CC2C3)C45)C)C
SMILES	CACTVS	3.341	C[C]12C[C]34C[CH]1C[CH](O2)[CH]3[C](C)(CCC(=O)Nc5c(O)ccc(C(O)=O)c5O)C(=O)C=C4
SMILES	OpenEye OEToolkits	1.5.0	CC12CC34CC1CC(C3C(C(=O)C=C4)(C)CCC(=O)Nc5c(ccc(c5O)C(=O)O)O)O2
Canonical SMILES	CACTVS	3.341	C[C@]12C[C@]34C[C@H]1C[C@H](O2)[C@H]3[C@](C)(CCC(=O)Nc5c(O)ccc(C(O)=O)c5O)C(=O)C=C4
Canonical SMILES	OpenEye OEToolkits	1.5.0	C[C@]12C[C@]34C[C@H]1C[C@@H]([C@H]3[C@](C(=O)C=C4)(C)CCC(=O)Nc5c(ccc(c5O)C(=O)O)O)O2
InChI	InChI	1.03	InChI=1S/C24H27NO7/c1-22(7-6-17(28)25-18-14(26)4-3-13(19(18)29)21(30)31)16(27)5-8-24-10-12-9-15(20(22)24)32-23(12,2)11-24/h3-5,8,12,15,20,26,29H,6-7,9-11H2,1-2H3,(H,25,28)(H,30,31)/t12-,15+,20+,22-,23+,24+/m1/s1
InChIKey	InChI	1.03	CSOMAHTTWTVBFL-OFBLZTNGSA-N

Drug Info: DrugBank

DrugBank ID	DB08407
Name	Platensimycin
Groups	experimental
Synonyms	(−)-platensimycin Platensimycin
Categories	3-Oxoacyl-(Acyl-Carrier-Protein) Synthase Acids, Carbocyclic Amides Amines Aniline Compounds Anti-Infective Agents Antimetabolites Benzene Derivatives Benzoates Bridged-Ring Compounds Cycloparaffins Fatty Acid Synthesis Inhibitors Hypolipidemic Agents
CAS number	835876-32-9

Drug Targets

Name	Target Sequence	Pharmacological Action	Actions
3-oxoacyl-[acyl-carrier-protein] synthase 2	MSKRRVVVTGLGMLSPVGNTVESTWKALLAGQSGISLIDHFDTSAYATKF...	unknown

Drug Info/Drug Targets: DrugBank 3.0: a comprehensive resource for 'omics' research on drugs. Knox C, Law V, Jewison T, Liu P, Ly S, Frolkis A, Pon A, Banco K, Mak C, Neveu V, Djoumbou Y, Eisner R, Guo AC, Wishart DS. Nucleic Acids Res. 2011 Jan; 39 (Database issue):D1035-41. | PMID:21059682