Terminology Service for NFDI4Health
JSON

saxitoxin acetate

Go to external page http://purl.obolibrary.org/obo/CHEBI_142400

An acetate salt that is the diacetate of the toxic alkaloid saxitoxin.

Term info

Label

saxitoxin acetate

Synonyms
  • acetic acid--[(3aS,4R,10aS)-10,10-dihydroxy-2,6-diiminooctahydro-1H,8H-pyrrolo[1,2-c]purin-4-yl]methyl carbamate (2/1)
database cross reference
Subsets

3_STAR

IUPAC NAME
acetic acid--[(3aS,4R,10aS)-10,10-dihydroxy-2,6-diiminooctahydro-1H,8H-pyrrolo[1,2-c]purin-4-yl]methyl carbamate (2/1) [ IUPAC ]

charge

0

formula

C14H25N7O8

has obo namespace

chebi_ontology

has related synonym

saxitoxin diacetate, [(3aS,4R,10aS)-10,10-dihydroxy-2,6-diiminooctahydro-1H,8H-pyrrolo[1,2-c]purin-4-yl]methyl carbamate acetate (1:2)

id

CHEBI:142400

inchi

InChI=1S/C10H17N7O4.2C2H4O2/c11-6-15-5-4(3-21-8(13)18)14-7(12)17-2-1-9(19,20)10(5,17)16-6;2*1-2(3)4/h4-5,19-20H,1-3H2,(H2,12,14)(H2,13,18)(H3,11,15,16);2*1H3,(H,3,4)/t4-,5-,10-;;/m0../s1

inchikey

ATZFJZKIYFVCKU-UIPPETONSA-N

mass

419.391

monoisotopicmass

419.17646

smiles

N1C(N2[C@@]3([C@]([C@@H]1COC(N)=O)(NC(N3)=N)[H])C(CC2)(O)O)=N.CC(=O)O.CC(=O)O

Term relations

Subclass of: