Difference between revisions of "CPD-7078"
From metabolic_network
(Created page with "Category:Metabolite == Metabolite [http://metacyc.org/META/NEW-IMAGE?object=CPD-696 CPD-696] == * smiles: ** CC(C)C(=C)CCC(C)[CH]3(CCC4(C)([CH]1(CC[CH]5(C(C)(C)C(O)CCC2(CC...") |
(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 * inchi key: ** InChIKey=NJMGRJ...") |
||
| Line 1: | Line 1: | ||
[[Category:Metabolite]] | [[Category:Metabolite]] | ||
| − | == Metabolite [http://metacyc.org/META/NEW-IMAGE?object=CPD- | + | == Metabolite [http://metacyc.org/META/NEW-IMAGE?object=CPD-9451 CPD-9451] == |
* smiles: | * smiles: | ||
| − | ** CC(C | + | ** CC(C(C(=O)[O-])=CC(=O)[O-])C |
* inchi key: | * inchi key: | ||
| − | ** InChIKey= | + | ** InChIKey=NJMGRJLQRLFQQX-HYXAFXHYSA-L |
* common name: | * common name: | ||
| − | ** | + | ** 2-isopropylmaleate |
* molecular weight: | * molecular weight: | ||
| − | ** | + | ** 156.138 |
* Synonym(s): | * Synonym(s): | ||
| − | ** | + | ** β-isopropylmaleate |
| + | ** 2-isopropylmaleic acid | ||
== Reaction(s) known to consume the compound == | == Reaction(s) known to consume the compound == | ||
== Reaction(s) known to produce the compound == | == Reaction(s) known to produce the compound == | ||
| − | |||
== Reaction(s) of unknown directionality == | == Reaction(s) of unknown directionality == | ||
| + | * [[3-ISOPROPYLMALISOM-RXN]] | ||
| + | * [[RXN-8991]] | ||
== External links == | == External links == | ||
* PUBCHEM: | * PUBCHEM: | ||
| − | ** [http://pubchem.ncbi.nlm.nih.gov/summary/summary.cgi?cid= | + | ** [http://pubchem.ncbi.nlm.nih.gov/summary/summary.cgi?cid=21954611 21954611] |
| + | * HMDB : HMDB12241 | ||
* LIGAND-CPD: | * LIGAND-CPD: | ||
| − | ** [http://www.genome.jp/dbget-bin/www_bget? | + | ** [http://www.genome.jp/dbget-bin/www_bget?C02631 C02631] |
| − | {{#set: smiles=CC(C | + | * CHEMSPIDER: |
| − | {{#set: inchi key=InChIKey= | + | ** [http://www.chemspider.com/Chemical-Structure.10710392.html 10710392] |
| − | {{#set: common name= | + | * CHEBI: |
| − | {{#set: molecular weight= | + | ** [http://www.ebi.ac.uk/chebi/searchId.do?chebiId=58085 58085] |
| − | {{#set: common name= | + | * BIGG : 2ippm |
| − | {{#set: produced by=RXN- | + | {{#set: smiles=CC(C(C(=O)[O-])=CC(=O)[O-])C}} |
| + | {{#set: inchi key=InChIKey=NJMGRJLQRLFQQX-HYXAFXHYSA-L}} | ||
| + | {{#set: common name=2-isopropylmaleate}} | ||
| + | {{#set: molecular weight=156.138 }} | ||
| + | {{#set: common name=β-isopropylmaleate|2-isopropylmaleic acid}} | ||
| + | {{#set: consumed or produced by=3-ISOPROPYLMALISOM-RXN|RXN-8991}} | ||
Revision as of 18:20, 10 January 2018
Contents
Metabolite CPD-9451
- smiles:
- CC(C(C(=O)[O-])=CC(=O)[O-])C
- inchi key:
- InChIKey=NJMGRJLQRLFQQX-HYXAFXHYSA-L
- common name:
- 2-isopropylmaleate
- molecular weight:
- 156.138
- 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
- PUBCHEM:
- HMDB : HMDB12241
- LIGAND-CPD:
- CHEMSPIDER:
- CHEBI:
- BIGG : 2ippm
"CC(C(C(=O)[O-])=CC(=O)[O-])C" cannot be used as a page name in this wiki.
