Difference between revisions of "HOMO-CIT"
From metabolic_network
(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...") |
(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 * common name: ** (2R...") |
||
| (One intermediate revision by the same user not shown) | |||
| Line 3: | Line 3: | ||
* smiles: | * smiles: | ||
** C(C([O-])=O)CC(O)(C([O-])=O)CC([O-])=O | ** C(C([O-])=O)CC(O)(C([O-])=O)CC([O-])=O | ||
| − | |||
| − | |||
* common name: | * common name: | ||
** (2R)-homocitrate | ** (2R)-homocitrate | ||
| + | * inchi key: | ||
| + | ** InChIKey=XKJVEVRQMLKSMO-SSDOTTSWSA-K | ||
* molecular weight: | * molecular weight: | ||
** 203.128 | ** 203.128 | ||
| Line 34: | Line 34: | ||
** [http://www.ebi.ac.uk/chebi/searchId.do?chebiId=58884 58884] | ** [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=C(C([O-])=O)CC(O)(C([O-])=O)CC([O-])=O}} | ||
| − | |||
{{#set: common name=(2R)-homocitrate}} | {{#set: common name=(2R)-homocitrate}} | ||
| + | {{#set: inchi key=InChIKey=XKJVEVRQMLKSMO-SSDOTTSWSA-K}} | ||
{{#set: molecular weight=203.128 }} | {{#set: molecular weight=203.128 }} | ||
{{#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=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: reversible reaction associated=RXN-13722}} | {{#set: reversible reaction associated=RXN-13722}} | ||
Latest revision as of 20:02, 21 March 2018
Contents
Metabolite HOMO-CIT
- smiles:
- C(C([O-])=O)CC(O)(C([O-])=O)CC([O-])=O
- common name:
- (2R)-homocitrate
- inchi key:
- InChIKey=XKJVEVRQMLKSMO-SSDOTTSWSA-K
- 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.
