Difference between revisions of "CPD-7279"
From metabolic_network
(Created page with "Category:Metabolite == Metabolite [http://metacyc.org/META/NEW-IMAGE?object=CPD-7279 CPD-7279] == * smiles: ** CC(C=CC12(C(CC(CC1(C)O2)O)(C)C))=CC=O * inchi key: ** InChIK...") |
|||
| Line 1: | Line 1: | ||
[[Category:Metabolite]] | [[Category:Metabolite]] | ||
== Metabolite [http://metacyc.org/META/NEW-IMAGE?object=CPD-7279 CPD-7279] == | == Metabolite [http://metacyc.org/META/NEW-IMAGE?object=CPD-7279 CPD-7279] == | ||
| + | * molecular weight: | ||
| + | ** 250.337 | ||
* smiles: | * smiles: | ||
** CC(C=CC12(C(CC(CC1(C)O2)O)(C)C))=CC=O | ** CC(C=CC12(C(CC(CC1(C)O2)O)(C)C))=CC=O | ||
* inchi key: | * inchi key: | ||
| − | ** InChIKey=ZTALKMXOHWQNIA- | + | ** InChIKey=ZTALKMXOHWQNIA-TVBSHJCBSA-N |
* common name: | * common name: | ||
** 2-cis,4-trans-xanthoxin | ** 2-cis,4-trans-xanthoxin | ||
| − | |||
| − | |||
* Synonym(s): | * Synonym(s): | ||
** xanthoxin | ** xanthoxin | ||
| Line 19: | Line 19: | ||
== Reaction(s) of unknown directionality == | == Reaction(s) of unknown directionality == | ||
== External links == | == External links == | ||
| − | |||
| − | |||
| − | |||
| − | |||
* CHEBI: | * CHEBI: | ||
** [http://www.ebi.ac.uk/chebi/searchId.do?chebiId=32304 32304] | ** [http://www.ebi.ac.uk/chebi/searchId.do?chebiId=32304 32304] | ||
| + | * PUBCHEM: | ||
| + | ** [http://pubchem.ncbi.nlm.nih.gov/summary/summary.cgi?cid=91820570 91820570] | ||
* LIGAND-CPD: | * LIGAND-CPD: | ||
** [http://www.genome.jp/dbget-bin/www_bget?C13453 C13453] | ** [http://www.genome.jp/dbget-bin/www_bget?C13453 C13453] | ||
| + | * CHEMSPIDER: | ||
| + | ** [http://www.chemspider.com/Chemical-Structure.4445403.html 4445403] | ||
| + | {{#set: molecular weight=250.337 }} | ||
{{#set: smiles=CC(C=CC12(C(CC(CC1(C)O2)O)(C)C))=CC=O}} | {{#set: smiles=CC(C=CC12(C(CC(CC1(C)O2)O)(C)C))=CC=O}} | ||
| − | {{#set: inchi key=InChIKey=ZTALKMXOHWQNIA- | + | {{#set: inchi key=InChIKey=ZTALKMXOHWQNIA-TVBSHJCBSA-N}} |
{{#set: common name=2-cis,4-trans-xanthoxin}} | {{#set: common name=2-cis,4-trans-xanthoxin}} | ||
| − | |||
{{#set: common name=xanthoxin}} | {{#set: common name=xanthoxin}} | ||
{{#set: consumed by=1.1.1.288-RXN}} | {{#set: consumed by=1.1.1.288-RXN}} | ||
{{#set: produced by=RXN-7973-CPD-7424/OXYGEN-MOLECULE//CPD-7279/CPD-7280.44.|RXN-698}} | {{#set: produced by=RXN-7973-CPD-7424/OXYGEN-MOLECULE//CPD-7279/CPD-7280.44.|RXN-698}} | ||
Latest revision as of 12:59, 10 January 2019
Contents
Metabolite CPD-7279
- molecular weight:
- 250.337
- smiles:
- CC(C=CC12(C(CC(CC1(C)O2)O)(C)C))=CC=O
- inchi key:
- InChIKey=ZTALKMXOHWQNIA-TVBSHJCBSA-N
- common name:
- 2-cis,4-trans-xanthoxin
- Synonym(s):
- xanthoxin
Reaction(s) known to consume the compound
Reaction(s) known to produce the compound
Reaction(s) of unknown directionality
External links
