Difference between revisions of "CPD-13040"
From metabolic_network
(Created page with "Category:Metabolite == Metabolite [http://metacyc.org/META/NEW-IMAGE?object=CPD-13040 CPD-13040] == * smiles: ** CCCC(OCC(OC(CCC)=O)CO)=O * common name: ** 1,2-dibutyrin *...") |
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| Line 3: | Line 3: | ||
* smiles: | * smiles: | ||
** CCCC(OCC(OC(CCC)=O)CO)=O | ** CCCC(OCC(OC(CCC)=O)CO)=O | ||
| − | |||
| − | |||
| − | |||
| − | |||
* molecular weight: | * molecular weight: | ||
** 232.276 | ** 232.276 | ||
| + | * inchi key: | ||
| + | ** InChIKey=AWHAUPZHZYUHOM-VIFPVBQESA-N | ||
| + | * common name: | ||
| + | ** 1,2-dibutyrin | ||
* Synonym(s): | * Synonym(s): | ||
** glycerol 1,2-dibutanoate | ** glycerol 1,2-dibutanoate | ||
| Line 20: | Line 20: | ||
== 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.8352519.html 8352519] | ** [http://www.chemspider.com/Chemical-Structure.8352519.html 8352519] | ||
* CHEBI: | * CHEBI: | ||
** [http://www.ebi.ac.uk/chebi/searchId.do?chebiId=76537 76537] | ** [http://www.ebi.ac.uk/chebi/searchId.do?chebiId=76537 76537] | ||
| + | * CAS : 24814-35-5 | ||
| + | * PUBCHEM: | ||
| + | ** [http://pubchem.ncbi.nlm.nih.gov/summary/summary.cgi?cid=5327007 5327007] | ||
{{#set: smiles=CCCC(OCC(OC(CCC)=O)CO)=O}} | {{#set: smiles=CCCC(OCC(OC(CCC)=O)CO)=O}} | ||
| − | |||
| − | |||
{{#set: molecular weight=232.276 }} | {{#set: molecular weight=232.276 }} | ||
| + | {{#set: inchi key=InChIKey=AWHAUPZHZYUHOM-VIFPVBQESA-N}} | ||
| + | {{#set: common name=1,2-dibutyrin}} | ||
{{#set: common name=glycerol 1,2-dibutanoate|β-dibutyrin|butanoic acid, 1-(hydroxymethyl)-1,2-ethanediyl ester|dibutyrylglycerol}} | {{#set: common name=glycerol 1,2-dibutanoate|β-dibutyrin|butanoic acid, 1-(hydroxymethyl)-1,2-ethanediyl ester|dibutyrylglycerol}} | ||
{{#set: produced by=RXN-12086}} | {{#set: produced by=RXN-12086}} | ||
Latest revision as of 13:50, 10 January 2019
Contents
Metabolite CPD-13040
- smiles:
- CCCC(OCC(OC(CCC)=O)CO)=O
- molecular weight:
- 232.276
- inchi key:
- InChIKey=AWHAUPZHZYUHOM-VIFPVBQESA-N
- common name:
- 1,2-dibutyrin
- Synonym(s):
- glycerol 1,2-dibutanoate
- β-dibutyrin
- butanoic acid, 1-(hydroxymethyl)-1,2-ethanediyl ester
- dibutyrylglycerol
Reaction(s) known to consume the compound
Reaction(s) known to produce the compound
Reaction(s) of unknown directionality
External links
