Mycothiol

Details

Stereochemistry	ABSOLUTE
Molecular Formula	C17H30N2O12S
Molecular Weight	486.491
Optical Activity	( + )
Defined Stereocenters	12 / 12
E/Z Centers	0
Charge	0

SHOW SMILES / InChI

Structure Search

SMILES

CC(=O)N[C@@H](CS)C(=O)N[C@@H]1[C@@H](O)[C@H](O)[C@@H](CO)O[C@@H]1O[C@H]2[C@H](O)[C@@H](O)[C@H](O)[C@@H](O)[C@H]2O

InChI

InChIKey=MQBCDKMPXVYCGO-FQBKTPCVSA-N

InChI=1S/C17H30N2O12S/c1-4(21)18-5(3-32)16(29)19-7-9(23)8(22)6(2-20)30-17(7)31-15-13(27)11(25)10(24)12(26)14(15)28/h5-15,17,20,22-28,32H,2-3H2,1H3,(H,18,21)(H,19,29)/t5-,6+,7+,8+,9+,10-,11-,12+,13+,14+,15-,17+/m0/s1

HIDE SMILES / InChI

Molecular Formula	C17H30N2O12S
Molecular Weight	486.491
Charge	0
Count

Stereochemistry	ABSOLUTE
Additional Stereochemistry	No
Defined Stereocenters	12 / 12
E/Z Centers	0
Optical Activity	UNSPECIFIED

Approval Year

Substance Class	Chemical Created by `admin` on `Mon Mar 31 23:22:18 GMT 2025` Edited by `admin` on `Mon Mar 31 23:22:18 GMT 2025`
Record UNII	RTA4HG7FQ7
Record Status	`Validated (UNII)`
Record Version

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Name

Type

Language

Mycothiol

Common Name

English

U-17

Preferred Name

English

1-O-[2-[[(2R)-2-(Acetylamino)-3-mercapto-1-oxopropyl]amino]-2-deoxy-?-D-glucopyranosyl]-D-myo-inositol

Systematic Name

English

D-myo-Inositol, 1-O-[2-[[(2R)-2-(acetylamino)-3-mercapto-1-oxopropyl]amino]-2-deoxy-?-D-glucopyranosyl]-

Systematic Name

English

Code System Code Type Description

EPA CompTox

DTXSID901027171