Gonyautoxin I

Details

Stereochemistry	ABSOLUTE
Molecular Formula	C10H17N7O9S
Molecular Weight	411.348
Optical Activity	UNSPECIFIED
Defined Stereocenters	4 / 4
E/Z Centers	0
Charge	0

SHOW SMILES / InChI

Structure Search

SMILES

NC(=O)OC[C@H]1[C@@H]2N=C(N)N[C@]23N(C[C@@H](OS(O)(=O)=O)C3(O)O)C(=N)N1O

InChI

InChIKey=CETRDCWBMBILAL-XXKOCQOQSA-N

InChI=1S/C10H17N7O9S/c11-6-14-5-3(2-25-8(13)18)17(21)7(12)16-1-4(26-27(22,23)24)10(19,20)9(5,16)15-6/h3-5,12,19-21H,1-2H2,(H2,13,18)(H3,11,14,15)(H,22,23,24)/t3-,4+,5-,9-/m0/s1

HIDE SMILES / InChI

Molecular Formula	C10H17N7O9S
Molecular Weight	411.348
Charge	0
Count

Stereochemistry	ABSOLUTE
Additional Stereochemistry	No
Defined Stereocenters	4 / 4
E/Z Centers	0
Optical Activity	UNSPECIFIED

Approval Year

Substance Class	Chemical Created by `admin` on `Mon Mar 31 23:10:57 GMT 2025` Edited by `admin` on `Mon Mar 31 23:10:57 GMT 2025`
Record UNII	TT9PJ74SBH
Record Status	`Validated (UNII)`
Record Version

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Name

Type

Language

Gonyautoxin I

Common Name

English

GTX I

Preferred Name

English

1H,10H-Pyrrolo[1,2-c]purine-9,10,10-triol, 2-amino-4-[[(aminocarbonyl)oxy]methyl]-3a,4,5,6,8,9-hexahydro-5-hydroxy-6-imino-, 9-(hydrogen sulfate), (3aS,4R,9R,10aS)-

Systematic Name

English

GTX<sub>1</sub>

Common Name

English

Toxin GTX<sub>1</sub>

Common Name

English

Code System Code Type Description

EPA CompTox

DTXSID30880094

Created by admin on Mon Mar 31 23:10:57 GMT 2025 , Edited by admin on Mon Mar 31 23:10:57 GMT 2025

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CAS

60748-39-2

Created by admin on Mon Mar 31 23:10:57 GMT 2025 , Edited by admin on Mon Mar 31 23:10:57 GMT 2025

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FDA UNII

TT9PJ74SBH

Created by admin on Mon Mar 31 23:10:57 GMT 2025 , Edited by admin on Mon Mar 31 23:10:57 GMT 2025

PRIMARY

PUBCHEM

90694465

Created by admin on Mon Mar 31 23:10:57 GMT 2025 , Edited by admin on Mon Mar 31 23:10:57 GMT 2025

PRIMARY