Difference between revisions of "MALONATE-S-ALD"
From metabolic_network
(Created page with "Category:Metabolite == Metabolite [http://metacyc.org/META/NEW-IMAGE?object=MALONATE-S-ALD MALONATE-S-ALD] == * smiles: ** [CH](=O)CC([O-])=O * common name: ** 3-oxopropan...") |
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| Line 3: | Line 3: | ||
* smiles: | * smiles: | ||
** [CH](=O)CC([O-])=O | ** [CH](=O)CC([O-])=O | ||
| − | |||
| − | |||
| − | |||
| − | |||
* molecular weight: | * molecular weight: | ||
** 87.055 | ** 87.055 | ||
| + | * inchi key: | ||
| + | ** InChIKey=OAKURXIZZOAYBC-UHFFFAOYSA-M | ||
| + | * common name: | ||
| + | ** 3-oxopropanoate | ||
* Synonym(s): | * Synonym(s): | ||
** malonate semialdehyde | ** malonate semialdehyde | ||
| Line 22: | Line 22: | ||
* [[1.2.1.18-RXN]] | * [[1.2.1.18-RXN]] | ||
== External links == | == External links == | ||
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| − | |||
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| − | |||
* CHEMSPIDER: | * CHEMSPIDER: | ||
** [http://www.chemspider.com/Chemical-Structure.7822115.html 7822115] | ** [http://www.chemspider.com/Chemical-Structure.7822115.html 7822115] | ||
| + | * METABOLIGHTS : MTBLC33190 | ||
| + | * PUBCHEM: | ||
| + | ** [http://pubchem.ncbi.nlm.nih.gov/summary/summary.cgi?cid=9543142 9543142] | ||
* CHEBI: | * CHEBI: | ||
** [http://www.ebi.ac.uk/chebi/searchId.do?chebiId=33190 33190] | ** [http://www.ebi.ac.uk/chebi/searchId.do?chebiId=33190 33190] | ||
| − | * | + | * CAS : 926-61-4 |
| + | * LIGAND-CPD: | ||
| + | ** [http://www.genome.jp/dbget-bin/www_bget?C00222 C00222] | ||
| + | * HMDB : HMDB11111 | ||
{{#set: smiles=[CH](=O)CC([O-])=O}} | {{#set: smiles=[CH](=O)CC([O-])=O}} | ||
| − | |||
| − | |||
{{#set: molecular weight=87.055 }} | {{#set: molecular weight=87.055 }} | ||
| + | {{#set: inchi key=InChIKey=OAKURXIZZOAYBC-UHFFFAOYSA-M}} | ||
| + | {{#set: common name=3-oxopropanoate}} | ||
{{#set: common name=malonate semialdehyde|malonic semialdehyde}} | {{#set: common name=malonate semialdehyde|malonic semialdehyde}} | ||
{{#set: consumed by=RXN-2902|RXN-9958}} | {{#set: consumed by=RXN-2902|RXN-9958}} | ||
{{#set: produced by=RXN-16322}} | {{#set: produced by=RXN-16322}} | ||
{{#set: reversible reaction associated=RXN-2901|1.2.1.18-RXN}} | {{#set: reversible reaction associated=RXN-2901|1.2.1.18-RXN}} | ||
Latest revision as of 15:22, 10 January 2019
Contents
Metabolite MALONATE-S-ALD
- smiles:
- [CH](=O)CC([O-])=O
- molecular weight:
- 87.055
- inchi key:
- InChIKey=OAKURXIZZOAYBC-UHFFFAOYSA-M
- common name:
- 3-oxopropanoate
- Synonym(s):
- malonate semialdehyde
- malonic semialdehyde
Reaction(s) known to consume the compound
Reaction(s) known to produce the compound
Reaction(s) of unknown directionality
External links
- CHEMSPIDER:
- METABOLIGHTS : MTBLC33190
- PUBCHEM:
- CHEBI:
- CAS : 926-61-4
- LIGAND-CPD:
- HMDB : HMDB11111
"CH](=O)CC([O-])=O" cannot be used as a page name in this wiki.
