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CHEBI:8937 - S-(PGA1)-glutathione

ChEBI IDCHEBI:8937
ChEBI NameS-(PGA1)-glutathione
Stars
Last Modified28 July 2014
DownloadsMolfile
FormulaC30H49N3O10S
Net Charge0
Average Mass643.800
Monoisotopic Mass643.31387
SMILESCCCCC[C@H](O)/C=C/[C@H]1C(SC[C@H](NC(=O)CC[C@H](N)C(=O)O)C(=O)NCC(=O)O)CC(=O)C1CCCCCCC(=O)O
InChIInChI=1S/C30H49N3O10S/c1-2-3-6-9-19(34)12-13-21-20(10-7-4-5-8-11-27(37)38)24(35)16-25(21)44-18-23(29(41)32-17-28(39)40)33-26(36)15-14-22(31)30(42)43/h12-13,19-23,25,34H,2-11,14-18,31H2,1H3,(H,32,41)(H,33,36)(H,37,38)(H,39,40)(H,42,43)/b13-12+/t19-,20?,21+,22-,23-,25?/m0/s1
InChIKeyHXBAELAEMDXAJM-OTMUHFDOSA-N
Roles Classification
Chemical Role:
Bronsted base  A molecular entity capable of accepting a hydron from a donor (Brønsted acid).
ChEBI Ontology
Outgoing Relation(s)
S-(PGA1)-glutathione (CHEBI:8937) is a peptide (CHEBI:16670)
Synonym  Source
S-(PGA1)-glutathioneKEGG COMPOUND
Manual XrefsDatabases
C11304KEGG COMPOUND