Difference between revisions of "CPD-9451"
From metabolic_network
(Created page with "Category:Metabolite == Metabolite [http://metacyc.org/META/NEW-IMAGE?object=CPD-9451 CPD-9451] == * smiles: ** CC(C(C(=O)[O-])=CC(=O)[O-])C * common name: ** 2-isopropylma...") |
|||
| Line 3: | Line 3: | ||
* smiles: | * smiles: | ||
** CC(C(C(=O)[O-])=CC(=O)[O-])C | ** CC(C(C(=O)[O-])=CC(=O)[O-])C | ||
| − | |||
| − | |||
| − | |||
| − | |||
* molecular weight: | * molecular weight: | ||
** 156.138 | ** 156.138 | ||
| + | * inchi key: | ||
| + | ** InChIKey=NJMGRJLQRLFQQX-HYXAFXHYSA-L | ||
| + | * common name: | ||
| + | ** 2-isopropylmaleate | ||
* Synonym(s): | * Synonym(s): | ||
** β-isopropylmaleate | ** β-isopropylmaleate | ||
| Line 17: | Line 17: | ||
== Reaction(s) of unknown directionality == | == Reaction(s) of unknown directionality == | ||
* [[3-ISOPROPYLMALISOM-RXN]] | * [[3-ISOPROPYLMALISOM-RXN]] | ||
| − | |||
* [[RXN-8991]] | * [[RXN-8991]] | ||
| + | * [[IMDHT_LPAREN_3c2hmp_RPAREN_]] | ||
== External links == | == External links == | ||
| + | * CHEMSPIDER: | ||
| + | ** [http://www.chemspider.com/Chemical-Structure.10710392.html 10710392] | ||
* PUBCHEM: | * PUBCHEM: | ||
** [http://pubchem.ncbi.nlm.nih.gov/summary/summary.cgi?cid=21954611 21954611] | ** [http://pubchem.ncbi.nlm.nih.gov/summary/summary.cgi?cid=21954611 21954611] | ||
| + | * REFMET : Isopropylmaleate | ||
| + | * CHEBI: | ||
| + | ** [http://www.ebi.ac.uk/chebi/searchId.do?chebiId=58085 58085] | ||
* HMDB : HMDB12241 | * HMDB : HMDB12241 | ||
* LIGAND-CPD: | * LIGAND-CPD: | ||
** [http://www.genome.jp/dbget-bin/www_bget?C02631 C02631] | ** [http://www.genome.jp/dbget-bin/www_bget?C02631 C02631] | ||
| − | |||
| − | |||
| − | |||
| − | |||
* BIGG : 2ippm | * BIGG : 2ippm | ||
{{#set: smiles=CC(C(C(=O)[O-])=CC(=O)[O-])C}} | {{#set: smiles=CC(C(C(=O)[O-])=CC(=O)[O-])C}} | ||
| − | |||
| − | |||
{{#set: molecular weight=156.138 }} | {{#set: molecular weight=156.138 }} | ||
| + | {{#set: inchi key=InChIKey=NJMGRJLQRLFQQX-HYXAFXHYSA-L}} | ||
| + | {{#set: common name=2-isopropylmaleate}} | ||
{{#set: common name=β-isopropylmaleate|2-isopropylmaleic acid}} | {{#set: common name=β-isopropylmaleate|2-isopropylmaleic acid}} | ||
| − | {{#set: reversible reaction associated=3-ISOPROPYLMALISOM-RXN | + | {{#set: reversible reaction associated=3-ISOPROPYLMALISOM-RXN|RXN-8991|IMDHT_LPAREN_3c2hmp_RPAREN_}} |
Latest revision as of 14:42, 10 January 2019
Contents
Metabolite CPD-9451
- smiles:
- CC(C(C(=O)[O-])=CC(=O)[O-])C
- molecular weight:
- 156.138
- inchi key:
- InChIKey=NJMGRJLQRLFQQX-HYXAFXHYSA-L
- common name:
- 2-isopropylmaleate
- Synonym(s):
- β-isopropylmaleate
- 2-isopropylmaleic acid
Reaction(s) known to consume the compound
Reaction(s) known to produce the compound
Reaction(s) of unknown directionality
External links
- CHEMSPIDER:
- PUBCHEM:
- REFMET : Isopropylmaleate
- CHEBI:
- HMDB : HMDB12241
- LIGAND-CPD:
- BIGG : 2ippm
"CC(C(C(=O)[O-])=CC(=O)[O-])C" cannot be used as a page name in this wiki.
