Natural Products Atlas | Compounds

The Natural Products Atlas

Login

Compounds

COMPOUND NPA027617

STRUCTURE

Image structure

EXPORT OPTIONS	PNG JSON SDF
PROJECT MOLECULE TO GLOBAL VIEW	See Global

EXTERNAL LINKS

PROPERTIES

NPAID	NPA027617
CLUSTER ID	8239
NODE ID	5595
NAME	12α-Deoxy-decarbamoylsaxitoxin
FORMULA	C9H16N6O2
MOLECULAR WEIGHT (Da)	240.2670
ACCURATE MASS (Da)	240.1335
ORIGIN ORGANISM TYPE	Bacterium
ORIGIN GENUS	Unknown
ORIGIN SPECIES	sp.
InChIKey	AIOWIOMRQZYDEM-WWSLTDMBSA-N
InChI	InChI=1S/C9H16N6O2/c10-7-13-6-4(3-16)12-8(11)15-2-1-5(17)9(6,15)14-7/h4-6,16-17H,1-3H2,(H2,11,12)(H3,10,13,14)/t4-,5-,6-,9+/m0/s1
SMILES	NC1=N[C@H]2[C@H](CO)N=C(N)N3CC[C@H](O)[C@]23N1

ORIGINAL ISOLATION REFERENCE

CITATION	D'Agostino PM; Boundy MJ; Harwood TD; Carmichael WW; Neilan BA; Wood SA Re-evaluation of paralytic shellfish toxin profiles in cyanobacteria using hydrophilic interaction liquid chromatography-tandem mass spectrometry. Toxicon 2019 158 1-7.
DOI	10.1016/j.toxicon.2018.11.301	PMID	30471380

ORIGINAL ISOLATION TAXONOMY

RANK	NAME	DB LINK	NCBI
Domain	Bacteria	LPSN	2
Phylum	Cyanobacteria	LPSN	1117

CLASSYFIRE

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

NP CLASSIFIER

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

If you encounter an issue on the website, please submit a bug report, feature request, or general issue through the issue tracker on GitHub.

Made with ♥ using Python

DB Version: 2024_09

Website Version: 3.0.2

Creative Commons License

The Natural Products Atlas is licensed under a Creative Commons Attribution-Noncommercial 4.0 International License.

Back to top of page