Neosaxitoxin (BioCAD00000015112)
Metabolite Card
Chinese Name:
Formula: C10H17N7O5 (315.1291)
SMILES:
NC(=O)OC[C@H]1[C@@H]2NC(N)=N[C@]22N(CCC2(O)O)C(=N)N1OSynonyms [en]
Neosaxitoxin; NeoSTX; neosaxitoxina; NSTX; [(3aS,4R,10aS)-2-amino-5,10,10-trihydroxy-6-imino-3a,4,5,6,9,10-hexahydro-3H,8H-pyrrolo[1,2-c]purin-4-yl]methyl carbamate; [(3aS,4R,10aS)-5,10,10-Trihydroxy-2,6-diiminooctahydro-1H,8H-pyrrolo[1,2-c]purin-4-yl]methyl carbamate
Note
Neosaxitoxin is produced by Protogonyaulax and found in shellfis
Entity Information
DBLinks
- CAS Registry Number: 64296-20-4
- PubChem CID: 104753
- ChEBI: 167561
- HMDB: HMDB0029369
- LipidMaps:
- KEGG: C17208
- BioCyc:
- NCBI MeSH: neosaxitoxin
- Wikipedia: Neosaxitoxin
Other DBLinks
- CAS Registry Number: 64296-20-4
- PubChem: 104753
- PubChem: 21117946
- PubChem: 4255631
- ChEBI: ChEBI:167561
- ChEBI: ChEBI:181363
- HMDB: HMDB0029369
- KEGG: C17208
- NCBI MeSH: neosaxitoxin
- Wikipedia: Neosaxitoxin
- DrugBank: DB12989
- Metlin: METLIN_71608
- Coconut NaturalProduct: CNP0202132.1
- Coconut NaturalProduct: CNP0591148.1
- PMHub: MS000025657
- PMHub: MS000044311
Class / Ontology
- WishartLab ClassyFire: [Saxitoxins, gonyautoxins, and derivatives] Saxitoxins, gonyautoxins, and derivatives
- ChEBI: [CHEBI:167561] neosaxitoxin
- ChEBI: [CHEBI:181363] [(3As,4R,10aS)-2,6-diamino-10,10-dihydroxy-5-oxido-3a,4,8,9-tetrahydro-1H-pyrrolo[1,2-c]purin-5-ium-4-yl]methyl carbamate
- Coconut NaturalProduct: [Guanidine alkaloids] Guanidine alkaloids
Mass Spectrum
Organism Source