Difference between revisions of "CPD-371"
From metabolic_network
(Created page with "Category:Metabolite == Metabolite [http://metacyc.org/META/NEW-IMAGE?object=CPD-371 CPD-371] == * smiles: ** CCCCCCC[CH]=O * common name: ** 1-octanal * inchi key: ** InCh...") |
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* smiles: | * smiles: | ||
** CCCCCCC[CH]=O | ** CCCCCCC[CH]=O | ||
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| − | |||
| − | |||
| − | |||
* molecular weight: | * molecular weight: | ||
** 128.214 | ** 128.214 | ||
| + | * inchi key: | ||
| + | ** InChIKey=NUJGJRNETVAIRJ-UHFFFAOYSA-N | ||
| + | * common name: | ||
| + | ** 1-octanal | ||
* Synonym(s): | * Synonym(s): | ||
** 1-caprylaldehyde | ** 1-caprylaldehyde | ||
| 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.441.html 441] | ** [http://www.chemspider.com/Chemical-Structure.441.html 441] | ||
* CHEBI: | * CHEBI: | ||
** [http://www.ebi.ac.uk/chebi/searchId.do?chebiId=17935 17935] | ** [http://www.ebi.ac.uk/chebi/searchId.do?chebiId=17935 17935] | ||
| + | * REFMET : Caprylaldehyde | ||
| + | * LIPID_MAPS : LMFA06000028 | ||
| + | * PUBCHEM: | ||
| + | ** [http://pubchem.ncbi.nlm.nih.gov/summary/summary.cgi?cid=454 454] | ||
* METABOLIGHTS : MTBLC17935 | * METABOLIGHTS : MTBLC17935 | ||
| + | * CAS : 124-13-0 | ||
| + | * LIGAND-CPD: | ||
| + | ** [http://www.genome.jp/dbget-bin/www_bget?C01545 C01545] | ||
| + | * HMDB : HMDB01140 | ||
{{#set: smiles=CCCCCCC[CH]=O}} | {{#set: smiles=CCCCCCC[CH]=O}} | ||
| − | |||
| − | |||
{{#set: molecular weight=128.214 }} | {{#set: molecular weight=128.214 }} | ||
| + | {{#set: inchi key=InChIKey=NUJGJRNETVAIRJ-UHFFFAOYSA-N}} | ||
| + | {{#set: common name=1-octanal}} | ||
{{#set: common name=1-caprylaldehyde|1-octylaldehyde|1-octaldehyde|n-octanal}} | {{#set: common name=1-caprylaldehyde|1-octylaldehyde|1-octaldehyde|n-octanal}} | ||
{{#set: consumed by=R222-RXN}} | {{#set: consumed by=R222-RXN}} | ||
Latest revision as of 13:13, 10 January 2019
Contents
Metabolite CPD-371
- smiles:
- CCCCCCC[CH]=O
- molecular weight:
- 128.214
- inchi key:
- InChIKey=NUJGJRNETVAIRJ-UHFFFAOYSA-N
- common name:
- 1-octanal
- Synonym(s):
- 1-caprylaldehyde
- 1-octylaldehyde
- 1-octaldehyde
- n-octanal
Reaction(s) known to consume the compound
Reaction(s) known to produce the compound
Reaction(s) of unknown directionality
External links
- CHEMSPIDER:
- CHEBI:
- REFMET : Caprylaldehyde
- LIPID_MAPS : LMFA06000028
- PUBCHEM:
- METABOLIGHTS : MTBLC17935
- CAS : 124-13-0
- LIGAND-CPD:
- HMDB : HMDB01140
"CCCCCCC[CH]=O" cannot be used as a page name in this wiki.
