Difference between revisions of "CPD-148"
From metabolic_network
(Created page with "Category:Metabolite == Metabolite [http://metacyc.org/META/NEW-IMAGE?object=CPD-148 CPD-148] == * smiles: ** CCCCCCCC * common name: ** n-octane * inchi key: ** InChIKey=T...") |
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| Line 3: | Line 3: | ||
* smiles: | * smiles: | ||
** CCCCCCCC | ** CCCCCCCC | ||
| − | |||
| − | |||
| − | |||
| − | |||
* molecular weight: | * molecular weight: | ||
** 114.23 | ** 114.23 | ||
| + | * inchi key: | ||
| + | ** InChIKey=TVMXDCGIABBOFY-UHFFFAOYSA-N | ||
| + | * common name: | ||
| + | ** n-octane | ||
* Synonym(s): | * Synonym(s): | ||
** octane | ** octane | ||
| Line 17: | Line 17: | ||
== Reaction(s) of unknown directionality == | == Reaction(s) of unknown directionality == | ||
== External links == | == External links == | ||
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* NCI: | * NCI: | ||
** [http://cactus.nci.nih.gov/ncidb2.2/?nsc=9822 9822] | ** [http://cactus.nci.nih.gov/ncidb2.2/?nsc=9822 9822] | ||
| − | |||
| − | |||
| − | |||
* CHEMSPIDER: | * CHEMSPIDER: | ||
** [http://www.chemspider.com/Chemical-Structure.349.html 349] | ** [http://www.chemspider.com/Chemical-Structure.349.html 349] | ||
| + | * DRUGBANK : DB02440 | ||
| + | * REFMET : Octane | ||
| + | * LIPID_MAPS : LMFA11000002 | ||
| + | * PUBCHEM: | ||
| + | ** [http://pubchem.ncbi.nlm.nih.gov/summary/summary.cgi?cid=356 356] | ||
* CHEBI: | * CHEBI: | ||
** [http://www.ebi.ac.uk/chebi/searchId.do?chebiId=17590 17590] | ** [http://www.ebi.ac.uk/chebi/searchId.do?chebiId=17590 17590] | ||
| + | * CAS : 111-65-9 | ||
| + | * LIGAND-CPD: | ||
| + | ** [http://www.genome.jp/dbget-bin/www_bget?C01387 C01387] | ||
| + | * HMDB : HMDB01485 | ||
{{#set: smiles=CCCCCCCC}} | {{#set: smiles=CCCCCCCC}} | ||
| − | |||
| − | |||
{{#set: molecular weight=114.23 }} | {{#set: molecular weight=114.23 }} | ||
| + | {{#set: inchi key=InChIKey=TVMXDCGIABBOFY-UHFFFAOYSA-N}} | ||
| + | {{#set: common name=n-octane}} | ||
{{#set: common name=octane}} | {{#set: common name=octane}} | ||
{{#set: consumed by=ALKANE-1-MONOOXYGENASE-RXN}} | {{#set: consumed by=ALKANE-1-MONOOXYGENASE-RXN}} | ||
Latest revision as of 12:55, 10 January 2019
Contents
Metabolite CPD-148
- smiles:
- CCCCCCCC
- molecular weight:
- 114.23
- inchi key:
- InChIKey=TVMXDCGIABBOFY-UHFFFAOYSA-N
- common name:
- n-octane
- Synonym(s):
- octane
Reaction(s) known to consume the compound
Reaction(s) known to produce the compound
Reaction(s) of unknown directionality
External links
- NCI:
- CHEMSPIDER:
- DRUGBANK : DB02440
- REFMET : Octane
- LIPID_MAPS : LMFA11000002
- PUBCHEM:
- CHEBI:
- CAS : 111-65-9
- LIGAND-CPD:
- HMDB : HMDB01485
