Difference between revisions of "CHOCOLA A"
From metabolic_network
(Created page with "Category:Metabolite == Metabolite [http://metacyc.org/META/NEW-IMAGE?object=CPD-7524 CPD-7524] == * smiles: ** CC(=CCCC(=CC=CC(C)=CC=CC(=CC=CC=C(C=CC=C(C)CCC=C(CCC=C(C)C)C...") |
(Created page with "Category:Metabolite == Metabolite [http://metacyc.org/META/NEW-IMAGE?object=ITACONATE ITACONATE] == * smiles: ** C=C(C(=O)[O-])CC([O-])=O * inchi key: ** InChIKey=LVHBHZAN...") |
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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=ITACONATE ITACONATE] == |
* smiles: | * smiles: | ||
| − | ** | + | ** C=C(C(=O)[O-])CC([O-])=O |
* inchi key: | * inchi key: | ||
| − | ** InChIKey= | + | ** InChIKey=LVHBHZANLOWSRM-UHFFFAOYSA-L |
* common name: | * common name: | ||
| − | ** | + | ** itaconate |
* molecular weight: | * molecular weight: | ||
| − | ** | + | ** 128.084 |
* Synonym(s): | * Synonym(s): | ||
| − | ** | + | ** propylenedicarboxylic acid |
| − | ** | + | ** methylenebutanedioic acid |
| − | ** | + | ** 2-propene-1,2-dicarboxylic acid |
| + | ** methylenesuccinic acid | ||
| + | ** itaconic acid | ||
| + | ** 2-methylsuccinate | ||
== Reaction(s) known to consume the compound == | == Reaction(s) known to consume the compound == | ||
| − | * [[RXN- | + | * [[RXN-8988]] |
== Reaction(s) known to produce the compound == | == Reaction(s) known to produce the compound == | ||
| − | |||
== Reaction(s) of unknown directionality == | == Reaction(s) of unknown directionality == | ||
== External links == | == External links == | ||
| + | * CAS : 97-65-4 | ||
| + | * PUBCHEM: | ||
| + | ** [http://pubchem.ncbi.nlm.nih.gov/summary/summary.cgi?cid=5459996 5459996] | ||
| + | * HMDB : HMDB02092 | ||
* LIGAND-CPD: | * LIGAND-CPD: | ||
| − | ** [http://www.genome.jp/dbget-bin/www_bget? | + | ** [http://www.genome.jp/dbget-bin/www_bget?C00490 C00490] |
| + | * CHEMSPIDER: | ||
| + | ** [http://www.chemspider.com/Chemical-Structure.4573697.html 4573697] | ||
* CHEBI: | * CHEBI: | ||
| − | ** [http://www.ebi.ac.uk/chebi/searchId.do?chebiId= | + | ** [http://www.ebi.ac.uk/chebi/searchId.do?chebiId=17240 17240] |
| − | * | + | * METABOLIGHTS : MTBLC17240 |
| − | + | {{#set: smiles=C=C(C(=O)[O-])CC([O-])=O}} | |
| − | {{#set: smiles= | + | {{#set: inchi key=InChIKey=LVHBHZANLOWSRM-UHFFFAOYSA-L}} |
| − | {{#set: inchi key=InChIKey= | + | {{#set: common name=itaconate}} |
| − | {{#set: common name= | + | {{#set: molecular weight=128.084 }} |
| − | {{#set: molecular weight= | + | {{#set: common name=propylenedicarboxylic acid|methylenebutanedioic acid|2-propene-1,2-dicarboxylic acid|methylenesuccinic acid|itaconic acid|2-methylsuccinate}} |
| − | {{#set: common name= | + | {{#set: consumed by=RXN-8988}} |
| − | {{#set: consumed by=RXN- | + | |
| − | + | ||
Revision as of 16:46, 10 January 2018
Contents
Metabolite ITACONATE
- smiles:
- C=C(C(=O)[O-])CC([O-])=O
- inchi key:
- InChIKey=LVHBHZANLOWSRM-UHFFFAOYSA-L
- common name:
- itaconate
- molecular weight:
- 128.084
- Synonym(s):
- propylenedicarboxylic acid
- methylenebutanedioic acid
- 2-propene-1,2-dicarboxylic acid
- methylenesuccinic acid
- itaconic acid
- 2-methylsuccinate
Reaction(s) known to consume the compound
Reaction(s) known to produce the compound
Reaction(s) of unknown directionality
External links
- CAS : 97-65-4
- PUBCHEM:
- HMDB : HMDB02092
- LIGAND-CPD:
- CHEMSPIDER:
- CHEBI:
- METABOLIGHTS : MTBLC17240
"C=C(C(=O)[O-])CC([O-])=O" cannot be used as a page name in this wiki.
