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Compounds

COMPOUND NPA018786

STRUCTURE

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PROPERTIES

NPAID	NPA018786
CLUSTER ID	352
NODE ID	317
NAME	Pitipeptolide A
FORMULA	C44H65N5O9
MOLECULAR WEIGHT (Da)	808.0300
ACCURATE MASS (Da)	807.4782
ORIGIN ORGANISM TYPE	Bacterium
ORIGIN GENUS	Lyngbya
ORIGIN SPECIES	majuscula
InChIKey	MGUMDFGKOQUYTD-XXMTWPQQSA-N
InChI	InChI=1S/C44H65N5O9/c1-11-14-16-23-33-44(8,9)43(56)47-35(27(4)5)40(53)48(10)32(25-30-20-17-15-18-21-30)42(55)58-37(29(7)13-3)41(54)49-24-19-22-31(49)38(51)46-36(28(6)12-2)39(52)45-26-34(50)57-33/h1,15,17-18,20-21,27-29,31-33,35-37H,12-14,16,19,22-26H2,2-10H3,(H,45,52)(H,46,51)(H,47,56)/t28-,29-,31-,32-,33-,35-,36-,37-/m0/s1
SMILES	CC[C@H](C)[C@H]1C(=O)NCC(=O)O[C@H](C(C(=O)N[C@H](C(=O)N([C@H](C(=O)O[C@H](C(=O)N2CCC[C@H]2C(=O)N1)[C@@H](C)CC)CC3=CC=CC=C3)C)C(C)C)(C)C)CCCC#C

ORIGINAL ISOLATION REFERENCE

CITATION	Luesch; Pangilinan; Yoshida; Moore; Paul Pitipeptolides A and B, new cyclodepsipeptides from the marine cyanobacterium Lyngbya majuscula Journal of Natural Products 2001 64 (3) 304-307.
DOI	10.1021/np000456u	PMID	11277744

ORIGINAL ISOLATION TAXONOMY

RANK	NAME	DB LINK	NCBI
Domain	Bacteria	LPSN	2
Phylum	Cyanobacteria	LPSN	1117
Class	Cyanophyceae	LPSN	-
Order	Oscillatoriales	LPSN	1150
Family	Oscillatoriaceae	LPSN	1892254
Genus	Lyngbya	LPSN	28073

CLASSYFIRE

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DESCRIPTION	[[ getValue('description') ]]
KINGDOM	[[ getValue('kingdom') ]]
SUPER CLASS	[[ getValue('superclass') ]]
CLASS	[[ getValue('class') ]]
SUB CLASS	[[ getValue('subclass') ]]
MOLECULAR FRAMEWORK	[[ getValue('molecular_framework') ]]

NP CLASSIFIER

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SUPER CLASS	[[ getValue('superclass_results') ]]
CLASS	[[ getValue('class_results') ]]
PATHWAY	[[ getValue('pathway_results') ]]
IS GLYCOSIDE?	[[ getValue('isglycoside') ]]

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