CHEBI:8937 - S-(PGA1)-glutathione

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ChEBI Name S-(PGA1)-glutathione
ChEBI ID CHEBI:8937
Stars This entity has been manually annotated by a third party.
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Formula C30H49N3O10S
Net Charge 0
Average Mass 643.791
Monoisotopic Mass 643.31387
InChI InChI=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
InChIKey HXBAELAEMDXAJM-OTMUHFDOSA-N
SMILES CCCCC[C@H](O)\C=C\[C@H]1C(CC(=O)C1CCCCCCC(O)=O)SC[C@H](NC(=O)CC[C@H](N)C(O)=O)C(=O)NCC(O)=O
Roles Classification
Chemical Role(s): Bronsted base
A molecular entity capable of accepting a hydron from a donor (Bronsted acid).
(via organic amino compound )
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ChEBI Ontology
Outgoing S-(PGA1)-glutathione (CHEBI:8937) is a peptide (CHEBI:16670)
Synonym Source
S-(PGA1)-glutathione KEGG COMPOUND
Manual Xref Database
C11304 KEGG COMPOUND
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Last Modified
28 July 2014