Natural Products Atlas | Compounds

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Compounds

ID	Spectrum Quality	Annotated Name
CCMSLIB00000001790	Gold	1!CCMSLIB00000001791
CCMSLIB00012102426	Gold	4
CCMSLIB00012102428	Gold	4
CCMSLIB00012102427	Gold	4
CCMSLIB00012102429	Gold	4
CCMSLIB00009942223	Gold	4
CCMSLIB00009942225	Gold	4
CCMSLIB00009942224	Gold	4
CCMSLIB00009942226	Gold	4

COMPOUND NPA015567

STRUCTURE

Image structure

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PROPERTIES

NPAID	NPA015567
CLUSTER ID	694
NODE ID	612
NAME	Apratoxin F
FORMULA	C44H69N5O8S
MOLECULAR WEIGHT (Da)	828.1300
ACCURATE MASS (Da)	827.4867
ORIGIN ORGANISM TYPE	Bacterium
ORIGIN GENUS	Lyngbya
ORIGIN SPECIES	bouillonii PAL08‚Äì16
InChIKey	BAYCKSGCVUIVNR-MJEAVDSUSA-N
InChI	InChI=1S/C44H69N5O8S/c1-15-26(3)37-42(54)48(12)30(7)43(55)57-36(44(8,9)10)21-25(2)20-35(50)28(5)39-45-32(24-58-39)22-27(4)38(51)46-34(23-31-16-18-33(56-14)19-17-31)41(53)47(11)29(6)40(52)49(37)13/h16-19,22,25-26,28-30,32,34-37,50H,15,20-21,23-24H2,1-14H3,(H,46,51)/b27-22-/t25-,26-,28-,29-,30-,32?,34-,35-,36-,37-/m0/s1
SMILES	CC[C@H](C)[C@H]1C(=O)N([C@H](C(=O)O[C@@H](C[C@H](C[C@@H]([C@@H](C2=NC(CS2)/C=C(\C(=O)N[C@H](C(=O)N([C@H](C(=O)N1C)C)C)CC3=CC=C(C=C3)OC)/C)C)O)C)C(C)(C)C)C)C

ORIGINAL ISOLATION REFERENCE

CITATION	Tidgewell, Kevin; Engene, Niclas; Byrum, Tara; Media, Joseph; Doi, Takayuki; Valeriote, Fred A; Gerwick, William H Evolved diversification of a modular natural product pathway: apratoxins F and G, two cytotoxic cyclic depsipeptides from a Palmyra collection of Lyngbya bouillonii ChemBioChem 2010 11 (10) 1458-1466.
DOI	10.1002/cbic.201000070	PMID	20512792

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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