EMBL-EBI | Chemical Biology | ChEBI
Example searches: iron*, InChI=1S/CH4O/c1-2/h2H,1H3, caffeine | Advanced Search
CHEBI:64978 - γGluCys(IAN)Glu
| Formula | C23H27N5O8S |
| Net Charge | 0 |
| Average Mass | 533.563 |
| Monoisotopic Mass | 533.15803 |
| SMILES | N#CC(SC[C@H](NC(=O)CC[C@H](N)C(=O)O)C(=O)N[C@@H](CCC(=O)O)C(=O)O)c1cnc2ccccc12 |
| InChI | InChI=1S/C23H27N5O8S/c24-9-18(13-10-26-15-4-2-1-3-12(13)15)37-11-17(27-19(29)7-5-14(25)22(33)34)21(32)28-16(23(35)36)6-8-20(30)31/h1-4,10,14,16-18,26H,5-8,11,25H2,(H,27,29)(H,28,32)(H,30,31)(H,33,34)(H,35,36)/t14-,16-,17-,18?/m0/s1 |
| InChIKey | VIFUUCKOHMULOK-PNQBHLATSA-N |
| Roles Classification |
|---|
| Chemical Role: | Bronsted base A molecular entity capable of accepting a hydron from a donor (Brønsted acid). |
| Biological Role: | metabolite Any intermediate or product resulting from metabolism. The term 'metabolite' subsumes the classes commonly known as primary and secondary metabolites. |
| ChEBI Ontology |
|---|
| Outgoing Relation(s) |
| γGluCys(IAN)Glu (CHEBI:64978) has functional parent cysteine (CHEBI:15356) |
| γGluCys(IAN)Glu (CHEBI:64978) has functional parent glutamic acid (CHEBI:18237) |
| γGluCys(IAN)Glu (CHEBI:64978) has functional parent indole-3-acetonitrile (CHEBI:17566) |
| γGluCys(IAN)Glu (CHEBI:64978) has role metabolite (CHEBI:25212) |
| γGluCys(IAN)Glu (CHEBI:64978) is a S-conjugate (CHEBI:64987) |
| γGluCys(IAN)Glu (CHEBI:64978) is a indoles (CHEBI:24828) |
| γGluCys(IAN)Glu (CHEBI:64978) is a nitrile (CHEBI:18379) |
| γGluCys(IAN)Glu (CHEBI:64978) is a tripeptide (CHEBI:47923) |
| γGluCys(IAN)Glu (CHEBI:64978) is conjugate acid of γGluCys(IAN)Glu(2−) (CHEBI:64979) |
| Incoming Relation(s) |
| γGluCys(IAN)Glu(2−) (CHEBI:64979) is conjugate base of γGluCys(IAN)Glu (CHEBI:64978) |
| IUPAC Name |
|---|
| L-γ-glutamyl-S-[cyano(1H-indol-3-yl)methyl]-L-cysteinyl-L-glutamic acid |
| Synonym | Source |
|---|---|
| γ-L-Glu-L-Cys-(IAN)-L-Glu | ChEBI |
| Citations |
|---|