CHEBI:221694 - Anhydrotetrodotoxin

Main ChEBI Ontology Automatic Xrefs Reactions Pathways Models
This entity has been annotated by a third party. If you would like more information added to this entry, please contact ChEBI via email or GitHub.
ChEBI Name Anhydrotetrodotoxin
ChEBI ID CHEBI:221694
Stars This entity has been manually annotated by a third party.
Submitter MetaboLights
Supplier Information
Download Molfile XML SDF
Formula C11H15N3O7
Net Charge 0
Average Mass 301.255
Monoisotopic Mass 301.09100
InChI InChI=1S/C11H15N3O7/c12-8-13-6-2-4-9(17,1-15)5-3(16)10(2,14-8)7(19-6)11(18,20-4)21-5/h2-7,15-18H,1H2,(H3,12,13,14)/t2?,3-,4?,5+,6?,7+,9+,10-,11+/m1/s1
InChIKey STNXQECXKDMLJK-NLWUVLGBSA-N
SMILES O1[C@]2(OC3C4[C@]5([C@@H]2OC4N=C(N5)N)[C@@H]([C@H]1[C@]3(O)CO)O)O
Metabolite of Species Details
Pseudomonasspecies (NCBI:txid306) See: DOI
Roles Classification
Biological Role(s): metabolite
Any intermediate or product resulting from metabolism. The term 'metabolite' subsumes the classes commonly known as primary and secondary metabolites.
(via alkaloid )
View more via ChEBI Ontology
ChEBI Ontology
Outgoing Anhydrotetrodotoxin (CHEBI:221694) has functional parent tetrodotoxin (CHEBI:9506)
Anhydrotetrodotoxin (CHEBI:221694) is a quinazoline alkaloid (CHEBI:36470)
IUPAC Name
(2S,3S,4S,5R,11S,12S)-7-amino-2-(hydroxymethyl)-10,13,15-trioxa-6,8-diazapentacyclo[7.4.1.13,12.05,11.05,14]pentadec-7-ene-2,4,12-triol
Manual Xref Database
21256822 ChemSpider
View more database links