Difference between revisions of "ITACONATE"
From metabolic_network
(Created page with "Category:Metabolite == Metabolite [http://metacyc.org/META/NEW-IMAGE?object=ITACONATE ITACONATE] == * smiles: ** C=C(C(=O)[O-])CC([O-])=O * common name: ** itaconate * inc...") |
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* smiles: | * smiles: | ||
** C=C(C(=O)[O-])CC([O-])=O | ** C=C(C(=O)[O-])CC([O-])=O | ||
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| − | |||
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| − | |||
* molecular weight: | * molecular weight: | ||
** 128.084 | ** 128.084 | ||
| + | * inchi key: | ||
| + | ** InChIKey=LVHBHZANLOWSRM-UHFFFAOYSA-L | ||
| + | * common name: | ||
| + | ** itaconate | ||
* Synonym(s): | * Synonym(s): | ||
** propylenedicarboxylic acid | ** propylenedicarboxylic acid | ||
| Line 22: | Line 22: | ||
== Reaction(s) of unknown directionality == | == Reaction(s) of unknown directionality == | ||
== External links == | == External links == | ||
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| − | |||
* CHEMSPIDER: | * CHEMSPIDER: | ||
** [http://www.chemspider.com/Chemical-Structure.4573697.html 4573697] | ** [http://www.chemspider.com/Chemical-Structure.4573697.html 4573697] | ||
| + | * PUBCHEM: | ||
| + | ** [http://pubchem.ncbi.nlm.nih.gov/summary/summary.cgi?cid=5459996 5459996] | ||
* CHEBI: | * CHEBI: | ||
** [http://www.ebi.ac.uk/chebi/searchId.do?chebiId=17240 17240] | ** [http://www.ebi.ac.uk/chebi/searchId.do?chebiId=17240 17240] | ||
| + | * GO-TERMS : (REFMET "Itaconic acid" NIL midford 3701443689 NIL NIL) | ||
| + | * CAS : 97-65-4 | ||
| + | * LIGAND-CPD: | ||
| + | ** [http://www.genome.jp/dbget-bin/www_bget?C00490 C00490] | ||
| + | * HMDB : HMDB02092 | ||
* METABOLIGHTS : MTBLC17240 | * METABOLIGHTS : MTBLC17240 | ||
{{#set: smiles=C=C(C(=O)[O-])CC([O-])=O}} | {{#set: smiles=C=C(C(=O)[O-])CC([O-])=O}} | ||
| − | |||
| − | |||
{{#set: molecular weight=128.084 }} | {{#set: molecular weight=128.084 }} | ||
| + | {{#set: inchi key=InChIKey=LVHBHZANLOWSRM-UHFFFAOYSA-L}} | ||
| + | {{#set: common name=itaconate}} | ||
{{#set: common name=propylenedicarboxylic acid|methylenebutanedioic acid|2-propene-1,2-dicarboxylic acid|methylenesuccinic acid|itaconic acid|2-methylsuccinate}} | {{#set: common name=propylenedicarboxylic acid|methylenebutanedioic acid|2-propene-1,2-dicarboxylic acid|methylenesuccinic acid|itaconic acid|2-methylsuccinate}} | ||
{{#set: consumed by=RXN-8988}} | {{#set: consumed by=RXN-8988}} | ||
Latest revision as of 14:11, 10 January 2019
Contents
Metabolite ITACONATE
- smiles:
- C=C(C(=O)[O-])CC([O-])=O
- molecular weight:
- 128.084
- inchi key:
- InChIKey=LVHBHZANLOWSRM-UHFFFAOYSA-L
- common name:
- itaconate
- 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
- CHEMSPIDER:
- PUBCHEM:
- CHEBI:
- GO-TERMS : (REFMET "Itaconic acid" NIL midford 3701443689 NIL NIL)
- CAS : 97-65-4
- LIGAND-CPD:
- HMDB : HMDB02092
- METABOLIGHTS : MTBLC17240
"C=C(C(=O)[O-])CC([O-])=O" cannot be used as a page name in this wiki.
