| Number |
qtl-m1744 |
| 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) |
385.1 |
| Product ions(Q3) |
136.1 |
| Main fragments |
|
| Compound |
S-Adenosyl-L-homocysteine |
| Identification |
putative |
| class |
|
| Organism |
|
| Reference |
|
| CV(%) |
|
| H2 |
|
| ChEBI_ID |
CHEBI:16680 |
| Agricola Citation Links |
|
| ArrayExpress Database Links |
|
| BRAND Names |
|
| Beilstein Registry Numbers |
99188;; |
| BioModels Database Links |
BIOMD0000000602;;BIOMD0000000497;;BIOMD0000000496;;BIOMD0000000473;;BIOMD0000000472;;BIOMD0000000471;;BIOMD0000000470;;BIOMD0000000469;;BIOMD0000000450;;BIOMD0000000268;; |
| CAS Registry Numbers |
979-92-0;; |
| COMe Database Links |
|
| ChEBI ID |
|
| ChEBI Name |
S-adenosyl-L-homocysteine;; |
| Charge |
0;; |
| Chinese Abstracts Citation Links |
|
| CiteXplore Citation Links |
|
| Definition |
The S-adenosyl derivative of L-homocysteine.;; |
| DrugBank Database Links |
DB01752;; |
| Formulae |
C14H20N6O5S;; |
| Gmelin Registry Numbers |
692100;; |
| INN |
|
| IUPAC Names |
S-(5'-deoxyadenosin-5'-yl)-L-homocysteine;; |
| InChI |
InChI=1S/C14H20N6O5S/c15-6(14(23)24)1-2-26-3-7-9(21)10(22)13(25-7)20-5-19-8-11(16)17-4-18-12(8)20/h4-7,9-10,13,21-22H,1-3,15H2,(H,23,24)(H2,16,17,18)/t6-,7+,9+,10+,13+/m0/s1;; |
| InChIKey |
ZJUKTBDSGOFHSH-WFMPWKQPSA-N;; |
| IntAct Database Links |
EBI-1269015;;EBI-1269004;; |
| 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 |
27 Jan 2016;; |
| Mass |
384.41204;; |
| MolBase Database Links |
|
| PDBeChem Database Links |
|
| Patent Database Links |
WO2006121518;;WO2006044573;;US2005182075;; |
| PubChem Database Links |
11533261;; |
| PubMed Central Citation Links |
|
| PubMed Citation Links |
9217094;;8165599;;6980250;;6601986;;22455498;;22225784;;21837278;;19357721;;19249293;;19212411;;18976670;;18065573;;17892439;;17726531;;17439666;;17300772;;17172447;;17044778;;16519522;;16423634;;16253211;;16197315;;16197293;;16109423;;16047272;;16047261; |
| RESID Database Links |
|
| Reactome Database Links |
R-HSA-77090;;R-HSA-71286;;R-HSA-6788707;;R-HSA-6788684;;R-HSA-6788668;;R-HSA-6786621;;R-HSA-6786571;;R-HSA-6786567;;R-HSA-6786501;;R-HSA-6786500;;R-HSA-6785438;;R-HSA-6785409;;R-HSA-6783492;;R-HSA-6783473;;R-HSA-6782890;;R-HSA-6782881;;R-HSA-6782879;;R-HS |
| Rhea Database Links |
|
| SABIO-RK Database Links |
9989;;9987;;9973;;8885;;8603;;834;;8119;;7637;;738;;7034;;6766;;6444;;6399;;6390;;6382;;6369;;6294;;5368;;5348;;4796;;4779;;4665;;4371;;4114;;3947;;3679;;3486;;3354;;3222;;317;;2779;;2770;;2148;;2136;;2073;;2059;;1943;;1593;;1534;;1462;;1426;;1425;;14102; |
| SMILES |
N[C@@H](CCSC[C@H]1O[C@H]([C@H](O)[C@@H]1O)n1cnc2c(N)ncnc12)C(O)=O;; |
| Secondary ChEBI ID |
CHEBI:22034;;CHEBI:12761;;CHEBI:12759;;CHEBI:12741;;CHEBI:8945;;CHEBI:45495;; |
| Star |
3;; |
| Synonyms |
adenosylhomocysteine;;SAH;;S-[1-(adenin-9-yl)-1,5-dideoxy-beta-D-ribofuranos-5-yl]-L-homocysteine;;S-Adenosyl-homocysteine;;S-Adenosyl-L-homocysteine;;S-(5'-adenosyl)-L-homocysteine;;S-(5'-Deoxyadenosine-5')-L-homocysteine;;S-(5'-Deoxyadenosin-5'-yl)-L-ho |
| UM-BBD compID Database Links |
|
| UniProt Database Links |
Q9ZUM9;;Q9ZTT5;;Q9ZSM8;;Q9ZSK1;;Q9ZNA5;;Q9ZMY2;;Q9ZM61;;Q9ZLS8;;Q9ZLD4;;Q9ZL96;;Q9ZKQ2;;Q9ZKD2;;Q9ZKC2;;Q9ZK66;;Q9ZJI7;;Q9ZJI4;;Q9ZHQ4;;Q9ZH20;;Q9ZGH6;;Q9ZE89;;Q9ZE70;;Q9ZE37;;Q9ZE00;;Q9ZDZ5;;Q9ZCY2;;Q9ZCT9;;Q9ZCP3;;Q9ZCJ3;;Q9ZCB3;;Q9Z964;;Q9Z8C2;;Q9Z6S3; |
| ChEBI Image |
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