decarbamoylsaxitoxin (Q27277104)

UNII-EC89AU638S (English)

14 October 2016

chemical formula

C₉H₁₆N₆O₃

1 reference

UNII-EC89AU638S (English)

14 October 2016

canonical SMILES

C1CN2C(=NC(C3C2(C1(O)O)N=C(N3)N)CO)N

1 reference

UNII-EC89AU638S (English)

14 October 2016

isomeric SMILES

C1CN2C(=N[C@H]([C@H]3[C@]2(C1(O)O)N=C(N3)N)CO)N

1 reference

Natural Occurrence of Decarbamoylsaxitoxin in Tropical Dinoflagellate and Bivalves

UNII-EC89AU638S (English)

14 October 2016

2 references

Radioreceptor Assays for Sensitive Detection and Quantitation of Saxitoxin and Its Analogues from Strains of the Freshwater Cyanobacterium,Anabaena circinalis

Lyngbya

2 references

Natural Occurrence of Decarbamoylsaxitoxin in Tropical Dinoflagellate and Bivalves

Radioreceptor Assays for Sensitive Detection and Quantitation of Saxitoxin and Its Analogues from Strains of the Freshwater Cyanobacterium,Anabaena circinalis

Cylindrospermopsis

2 references

Natural Occurrence of Decarbamoylsaxitoxin in Tropical Dinoflagellate and Bivalves

Radioreceptor Assays for Sensitive Detection and Quantitation of Saxitoxin and Its Analogues from Strains of the Freshwater Cyanobacterium,Anabaena circinalis

Aphanizomenon

2 references

Natural Occurrence of Decarbamoylsaxitoxin in Tropical Dinoflagellate and Bivalves

Radioreceptor Assays for Sensitive Detection and Quantitation of Saxitoxin and Its Analogues from Strains of the Freshwater Cyanobacterium,Anabaena circinalis

Identifiers

InChI

InChI=1S/C9H16N6O3/c10-6-13-5-4(3-16)12-7(11)15-2-1-8(17,18)9(5,15)14-6/h4-5,16-18H,1-3H2,(H2,11,12)(H3,10,13,14)/t4-,5-,9-/m0/s1

1 reference

UNII-EC89AU638S (English)

VRRIYZJUSNMZMP-PJPYAQQDSA-N

14 October 2016

InChIKey

2 references

UNII-EC89AU638S (English)

14 October 2016

ChEBI release 2020-09-01

CAS Registry Number

58911-04-9

2 references

Global Substance Registration System

UNII

EC89AU638S

decarbamoylsaxitoxin (English)

VRRIYZJUSNMZMP-PJPYAQQDSA-N

14 October 2016

InChIKey

10 April 2021

https://commonchemistry.cas.org/detail?cas_rn=58911-04-9

1 reference

(3aS,4R,10aS)-2,6-Diamino-4-(hydroxymethyl)-3a,4,8,9-tetrahydro-1H,10H-pyrrolo[1,2-c]purine-10,10-diol (English)

14 October 2016

1 reference

UNII-EC89AU638S (English)

14 October 2016

ChEBI ID

133919

mapping relation type

exact match

2 references

matched by identifier from

ChEBI release 2019-10-02

International Chemical Identifier

InChI

InChI=1S/C9H16N6O3/c10-6-13-5-4(3-16)12-7(11)15-2-1-8(17,18)9(5,15)14-6/h4-5,16-18H,1-3H2,(H2,11,12)(H3,10,13,14)/t4-,5-,9-/m0/s1

DSSTox substance ID

DTXSID70207660

1 reference

Mapping file of InChIStrings, InChIKeys and DTXSIDs for the EPA CompTox Dashboard

DSSTOX compound identifier

0 references

2 references

Global Substance Registration System

UNII

EC89AU638S

decarbamoylsaxitoxin (English)