| Number |
qtl-m1331 |
| Declustering Potential(DP) |
|
| Collision Energy(CE) |
|
| Observed mass(Da) |
|
| Exact mass(Da) |
|
| Accurate mass error(ppm) |
|
| Molecular formula |
|
| Ionization model |
|
| Ret. Time(min) |
|
| Precursor ions(Q1) |
269.1 |
| Product ions(Q3) |
135.9 |
| Main fragments |
|
| Compound |
L-Homocystine |
| Identification |
putative |
| class |
Amino acid |
| Organism |
|
| Reference |
|
| CV(%) |
|
| H2 |
|
| ChEBI_ID |
CHEBI:89698 |
| Agricola Citation Links |
|
| ArrayExpress Database Links |
|
| BRAND Names |
|
| Beilstein Registry Numbers |
|
| BioModels Database Links |
|
| CAS Registry Numbers |
626-72-2;; |
| COMe Database Links |
|
| ChEBI ID |
|
| ChEBI Name |
L-Homocystine;; |
| Charge |
0;; |
| Chinese Abstracts Citation Links |
|
| CiteXplore Citation Links |
|
| Definition |
|
| DrugBank Database Links |
|
| Formulae |
C8H16N2O4S2;; |
| Gmelin Registry Numbers |
|
| INN |
|
| IUPAC Names |
2-amino-4-{[(3S)-3-amino-3-carboxypropyl]disulfanyl}butanoic acid;; |
| InChI |
InChI=1S/C8H16N2O4S2/c9-5(7(11)12)1-3-15-16-4-2-6(10)8(13)14/h5-6H,1-4,9-10H2,(H,11,12)(H,13,14)/t5-,6?/m0/s1;; |
| InChIKey |
ZTVZLYBCZNMWCF-ZBHICJROSA-N;; |
| IntAct Database Links |
|
| IntEnz Database Links |
|
| KEGG COMPOUND Database Links |
|
| KEGG DRUG Database Links |
|
| KEGG GLYCAN Database Links |
|
| LIPID MAPS class Database Links |
|
| LIPID MAPS instance Database Links |
|
| Last Modified |
|
| Mass |
268.356;; |
| MolBase Database Links |
|
| PDBeChem Database Links |
|
| Patent Database Links |
|
| PubChem Database Links |
|
| PubMed Central Citation Links |
|
| PubMed Citation Links |
8969644;;7436540;;500809;;2026685;;16787765;;16143442;;14732479;;14264314;;11592966;;10471655;; |
| RESID Database Links |
|
| Reactome Database Links |
|
| Rhea Database Links |
|
| SABIO-RK Database Links |
|
| SMILES |
C([C@@H](N)CCSSCCC(N)C(=O)O)(=O)O;; |
| Secondary ChEBI ID |
|
| Star |
2;; |
| Synonyms |
[S-(R*,R*)]-4,4'-dithiobis-2-amino-Butanoic acid;;[S-(R*,R*)]-4,4'-dithiobis-2-amino-Butanoate;;4,4'-Dithiobis-2-amino-L-Butyric acid;;4,4'-Dithiobis-2-amino-L-Butyrate;;4,4'-Dithiobis(2-aminobutyric acid);; |
| UM-BBD compID Database Links |
|
| UniProt Database Links |
|
| ChEBI Image |
 |
| |
|
