Met009209: 2-(Glutathion-S-yl)-2-methylbut-3-en-1-ol

Metabolite Information

Name

2-(Glutathion-S-yl)-2-methylbut-3-en-1-ol

IUPAC Name

(2S)-2-azaniumyl-5-[[(2R)-1-(carboxylatomethylamino)-3-(1-hydroxy-2-methylbut-3-en-2-yl)sulfanyl-1-oxopropan-2-yl]amino]-5-oxopentanoate

Molecular Formula

C15H24N3O7S-

Molecular Weight

390.4

Exact Mass

390.1334963

SMILES

CC(CO)(C=C)SCC(C(=O)NCC(=O)[O-])NC(=O)CCC(C(=O)[O-])[NH3+]

InChIKey

LOAQFXHGDMJPJC-WUAMPTBBSA-M

InChI

InChI=1S/C15H25N3O7S/c1-3-15(2,8-19)26-7-10(13(23)17-6-12(21)22)18-11(20)5-4-9(16)14(24)25/h3,9-10,19H,1,4-8,16H2,2H3,(H,17,23)(H,18,20)(H,21,22)(H,24,25)/p-1/t9-,10-,15?/m0/s1