EMBL-EBI | Chemical Biology | ChEBI

Example searches: iron*, InChI=1S/CH4O/c1-2/h2H,1H3, caffeine | Advanced Search

CHEBI:80570 - Bis(glutathionyl)spermine disulfide

ChEBI IDCHEBI:80570
ChEBI NameBis(glutathionyl)spermine disulfide
Stars
DownloadsMolfile
FormulaC30H54N10O10S2
Net Charge0
Average Mass778.956
Monoisotopic Mass778.34658
SMILESN[C@@H](CCC(=O)N[C@H]1CSSC[C@H](NC(=O)CC[C@H](N)C(=O)O)C(=O)NCC(=O)NCCCNCCCCNCCCNC(=O)CNC1=O)C(=O)O
InChIInChI=1S/C30H54N10O10S2/c31-19(29(47)48)5-7-23(41)39-21-17-51-52-18-22(40-24(42)8-6-20(32)30(49)50)28(46)38-16-26(44)36-14-4-12-34-10-2-1-9-33-11-3-13-35-25(43)15-37-27(21)45/h19-22,33-34H,1-18,31-32H2,(H,35,43)(H,36,44)(H,37,45)(H,38,46)(H,39,41)(H,40,42)(H,47,48)(H,49,50)/t19-,20-,21-,22-/m0/s1
InChIKeyDPWWQTWIXQZMCE-CMOCDZPBSA-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)
Bis(glutathionyl)spermine disulfide (CHEBI:80570) is a peptide (CHEBI:16670)
Manual XrefsDatabases
C16564KEGG COMPOUND