TETRODONIC ACID

Details

Stereochemistry	ABSOLUTE
Molecular Formula	C11H17N3O8
Molecular Weight	319.268
Optical Activity	UNSPECIFIED
Defined Stereocenters	8 / 8
E/Z Centers	0
Charge	0

SHOW SMILES / InChI

Structure Search

SMILES

[H][C@@]12[C@@H]3O[C@@H](C(O)=O)[C@]1(NC(N)=N3)[C@@H](O)[C@@H](O)[C@](O)(CO)[C@@H]2O

InChI

InChIKey=MWPMJZZQPDXVJT-JTUKEBEQSA-N

InChI=1S/C11H17N3O8/c12-9-13-7-2-3(16)10(21,1-15)4(17)5(18)11(2,14-9)6(22-7)8(19)20/h2-7,15-18,21H,1H2,(H,19,20)(H3,12,13,14)/t2-,3-,4-,5+,6+,7+,10+,11-/m1/s1

HIDE SMILES / InChI

Molecular Formula	C11H17N3O8
Molecular Weight	319.268
Charge	0
Count

Stereochemistry	ABSOLUTE
Additional Stereochemistry	No
Defined Stereocenters	7 / 8
E/Z Centers	0
Optical Activity	UNSPECIFIED

Approval Year

Substance Class	Chemical Created by `admin` on `Sat Dec 16 10:42:56 GMT 2023` Edited by `admin` on `Sat Dec 16 10:42:56 GMT 2023`
Record UNII	N6FH6TER4X
Record Status	`Validated (UNII)`
Record Version

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Name

Type

Language

TETRODONIC ACID

Common Name

English

(4S,4AR,5R,6S,7R,8R,8AR,9R)-2-AMINO-4,4A,5,6,7,8-HEXAHYDRO-5,6,7,8-TETRAHYDROXY-6-(HYDROXYMETHYL)-1H-4,8A-(EPOXYMETHANO)QUINAZOLINE-9-CARBOXYLIC ACID

Systematic Name

English

1H-4,8A-(EPOXYMETHANO)QUINAZOLINE-9-CARBOXYLIC ACID, 2-AMINO-4,4A,5,6,7,8-HEXAHYDRO-5,6,7,8-TETRAHYDROXY-6-(HYDROXYMETHYL)-, (4S,4AR,5R,6S,7R,8R,8AR,9R)-

Systematic Name

English

Code System Code Type Description

PUBCHEM

90472149

Created by admin on Sat Dec 16 10:42:56 GMT 2023 , Edited by admin on Sat Dec 16 10:42:56 GMT 2023

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EPA CompTox

DTXSID50954382

Created by admin on Sat Dec 16 10:42:56 GMT 2023 , Edited by admin on Sat Dec 16 10:42:56 GMT 2023

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CAS

3270-35-7

Created by admin on Sat Dec 16 10:42:56 GMT 2023 , Edited by admin on Sat Dec 16 10:42:56 GMT 2023

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FDA UNII

N6FH6TER4X

Created by admin on Sat Dec 16 10:42:56 GMT 2023 , Edited by admin on Sat Dec 16 10:42:56 GMT 2023

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