| Number |
qtl-m1237 |
| 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) |
223.1 |
| Product ions(Q3) |
88.1 |
| Main fragments |
|
| Compound |
Cystathionine |
| Identification |
putative |
| class |
Others |
| Organism |
|
| Reference |
|
| CV(%) |
|
| H2 |
|
| ChEBI_ID |
CHEBI:17755 |
| Agricola Citation Links |
|
| ArrayExpress Database Links |
|
| BRAND Names |
|
| Beilstein Registry Numbers |
|
| BioModels Database Links |
BIOMD0000000212;; |
| CAS Registry Numbers |
535-34-2;; |
| COMe Database Links |
|
| ChEBI ID |
|
| ChEBI Name |
cystathionine;; |
| Charge |
0;; |
| Chinese Abstracts Citation Links |
|
| CiteXplore Citation Links |
|
| Definition |
A modified amino acid generated by enzymic means from homocysteine and serine.;; |
| DrugBank Database Links |
|
| Formulae |
C7H14N2O4S;; |
| Gmelin Registry Numbers |
|
| INN |
|
| IUPAC Names |
S-(2-amino-2-carboxyethyl)homocysteine;;2-amino-4-[(2-amino-2-carboxyethyl)sulfanyl]butanoic acid;; |
| InChI |
InChI=1S/C7H14N2O4S/c8-4(6(10)11)1-2-14-3-5(9)7(12)13/h4-5H,1-3,8-9H2,(H,10,11)(H,12,13);; |
| InChIKey |
ILRYLPWNYFXEMH-UHFFFAOYSA-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 |
23 Sep 2015;; |
| Mass |
222.26314;; |
| MolBase Database Links |
|
| PDBeChem Database Links |
|
| Patent Database Links |
WO2006134489;;WO2006111791;;WO2006024453;;US2008207751;;US2007207956;;EP1630164;; |
| PubChem Database Links |
8144576;; |
| PubMed Central Citation Links |
|
| PubMed Citation Links |
22264337;;22212096;;15033753;;12907234;; |
| RESID Database Links |
|
| Reactome Database Links |
|
| Rhea Database Links |
|
| SABIO-RK Database Links |
1504;;1500;; |
| SMILES |
NC(CCSCC(N)C(O)=O)C(O)=O;; |
| Secondary ChEBI ID |
CHEBI:14059;;CHEBI:4048;; |
| Star |
3;; |
| Synonyms |
cystathione;;DL-Cystathionine;; |
| UM-BBD compID Database Links |
|
| UniProt Database Links |
Q9ZMW7;;Q9YBL2;;Q9QYU4;;Q9N0V7;;Q9CBM9;;Q93QC6;;Q91WT9;;Q8VCN5;;Q83A83;;Q60HG7;;Q59829;;Q58H57;;Q58DW2;;Q55DV9;;Q52811;;Q2KHX6;;Q28488;;Q1M0P5;;Q1K8G0;;Q19QT7;;Q14894;;Q12198;;Q08432;;Q07703;;Q04533;;P9WQ83;;P9WQ82;;P9WP51;;P9WP50;;P9WGB7;;P9WGB6;;P85217; |
| ChEBI Image |
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