Difference between revisions of "HOMO-CIT"
From metabolic_network
(Created page with "Category:Metabolite == Metabolite [http://metacyc.org/META/NEW-IMAGE?object=VAL VAL] == * smiles: ** CC(C)C([N+])C([O-])=O * inchi key: ** InChIKey=KZSNJWFQEVHDMF-BYPYZUCN...") |
(Created page with "Category:Metabolite == Metabolite [http://metacyc.org/META/NEW-IMAGE?object=HOMO-CIT HOMO-CIT] == * smiles: ** C(C([O-])=O)CC(O)(C([O-])=O)CC([O-])=O * inchi key: ** InChI...") |
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| Line 1: | Line 1: | ||
[[Category:Metabolite]] | [[Category:Metabolite]] | ||
| − | == Metabolite [http://metacyc.org/META/NEW-IMAGE?object= | + | == Metabolite [http://metacyc.org/META/NEW-IMAGE?object=HOMO-CIT HOMO-CIT] == |
* smiles: | * smiles: | ||
| − | ** | + | ** C(C([O-])=O)CC(O)(C([O-])=O)CC([O-])=O |
* inchi key: | * inchi key: | ||
| − | ** InChIKey= | + | ** InChIKey=XKJVEVRQMLKSMO-SSDOTTSWSA-K |
* common name: | * common name: | ||
| − | ** | + | ** (2R)-homocitrate |
* molecular weight: | * molecular weight: | ||
| − | ** | + | ** 203.128 |
* Synonym(s): | * Synonym(s): | ||
| − | ** | + | ** 2-hydroxybutane-1,2,4-tricarboxylate |
| − | ** | + | ** homocitric acid |
| − | ** | + | ** 3-hydroxy-3-carboxyadipic acid |
| − | ** | + | ** (2R)-2-hydroxybutane-1,2,4-tricarboxylate |
| + | ** (R)-2-hydroxybutane-1,2,4-tricarboxylate | ||
| + | ** homocitrate | ||
| + | ** (R)-homocitrate | ||
== Reaction(s) known to consume the compound == | == Reaction(s) known to consume the compound == | ||
| − | * [[ | + | * [[RXN3O-1983]] |
| − | + | ||
== Reaction(s) known to produce the compound == | == Reaction(s) known to produce the compound == | ||
== Reaction(s) of unknown directionality == | == Reaction(s) of unknown directionality == | ||
| − | * [[ | + | * [[RXN-13722]] |
== External links == | == External links == | ||
| − | * CAS : | + | * CAS : 3562-74-1 |
| − | + | ||
* PUBCHEM: | * PUBCHEM: | ||
| − | ** [http://pubchem.ncbi.nlm.nih.gov/summary/summary.cgi?cid= | + | ** [http://pubchem.ncbi.nlm.nih.gov/summary/summary.cgi?cid=20849228 20849228] |
| − | * HMDB : | + | * HMDB : HMDB03518 |
* LIGAND-CPD: | * LIGAND-CPD: | ||
| − | ** [http://www.genome.jp/dbget-bin/www_bget? | + | ** [http://www.genome.jp/dbget-bin/www_bget?C01251 C01251] |
| + | * CHEMSPIDER: | ||
| + | ** [http://www.chemspider.com/Chemical-Structure.20171681.html 20171681] | ||
* CHEBI: | * CHEBI: | ||
| − | ** [http://www.ebi.ac.uk/chebi/searchId.do?chebiId= | + | ** [http://www.ebi.ac.uk/chebi/searchId.do?chebiId=58884 58884] |
| − | + | {{#set: smiles=C(C([O-])=O)CC(O)(C([O-])=O)CC([O-])=O}} | |
| − | {{#set: smiles= | + | {{#set: inchi key=InChIKey=XKJVEVRQMLKSMO-SSDOTTSWSA-K}} |
| − | {{#set: inchi key=InChIKey= | + | {{#set: common name=(2R)-homocitrate}} |
| − | {{#set: common name= | + | {{#set: molecular weight=203.128 }} |
| − | {{#set: molecular weight= | + | {{#set: common name=2-hydroxybutane-1,2,4-tricarboxylate|homocitric acid|3-hydroxy-3-carboxyadipic acid|(2R)-2-hydroxybutane-1,2,4-tricarboxylate|(R)-2-hydroxybutane-1,2,4-tricarboxylate|homocitrate|(R)-homocitrate}} |
| − | {{#set: common name= | + | {{#set: consumed by=RXN3O-1983}} |
| − | {{#set: consumed by= | + | {{#set: reversible reaction associated=RXN-13722}} |
| − | {{#set: reversible reaction associated= | + | |
Latest revision as of 19:40, 21 March 2018
Contents
Metabolite HOMO-CIT
- smiles:
- C(C([O-])=O)CC(O)(C([O-])=O)CC([O-])=O
- inchi key:
- InChIKey=XKJVEVRQMLKSMO-SSDOTTSWSA-K
- common name:
- (2R)-homocitrate
- molecular weight:
- 203.128
- Synonym(s):
- 2-hydroxybutane-1,2,4-tricarboxylate
- homocitric acid
- 3-hydroxy-3-carboxyadipic acid
- (2R)-2-hydroxybutane-1,2,4-tricarboxylate
- (R)-2-hydroxybutane-1,2,4-tricarboxylate
- homocitrate
- (R)-homocitrate
Reaction(s) known to consume the compound
Reaction(s) known to produce the compound
Reaction(s) of unknown directionality
External links
- CAS : 3562-74-1
- PUBCHEM:
- HMDB : HMDB03518
- LIGAND-CPD:
- CHEMSPIDER:
- CHEBI:
"C(C([O-])=O)CC(O)(C([O-])=O)CC([O-])=O" cannot be used as a page name in this wiki.
