Difference between revisions of "CPD-9612"
From metabolic_network
(Created page with "Category:Metabolite == Metabolite [http://metacyc.org/META/NEW-IMAGE?object=CPD-9612 CPD-9612] == * smiles: ** CC(C)CCCC(C)CCCC(C)CCCC(C)CCCC(C)CCCC(C)CCC2(=C(SC)C(=O)C1(=...") |
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* smiles: | * smiles: | ||
** CC(C)CCCC(C)CCCC(C)CCCC(C)CCCC(C)CCCC(C)CCC2(=C(SC)C(=O)C1(=C(SC=C1)C(=O)2)) | ** CC(C)CCCC(C)CCCC(C)CCCC(C)CCCC(C)CCCC(C)CCC2(=C(SC)C(=O)C1(=C(SC=C1)C(=O)2)) | ||
| + | * molecular weight: | ||
| + | ** 631.069 | ||
* inchi key: | * inchi key: | ||
** InChIKey=GHRWXPXOBGRSHG-UHFFFAOYSA-N | ** InChIKey=GHRWXPXOBGRSHG-UHFFFAOYSA-N | ||
* common name: | * common name: | ||
** caldariellaquinone | ** caldariellaquinone | ||
| − | |||
| − | |||
* Synonym(s): | * Synonym(s): | ||
** 6-(3,7,11,15,19,23-hexamethyltetracosyl)-5-(methylsulfanyl)-1-benzothiophene-4,7-dione | ** 6-(3,7,11,15,19,23-hexamethyltetracosyl)-5-(methylsulfanyl)-1-benzothiophene-4,7-dione | ||
| Line 17: | Line 17: | ||
== Reaction(s) of unknown directionality == | == Reaction(s) of unknown directionality == | ||
== External links == | == External links == | ||
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| − | |||
| − | |||
| − | |||
* CHEBI: | * CHEBI: | ||
** [http://www.ebi.ac.uk/chebi/searchId.do?chebiId=73387 73387] | ** [http://www.ebi.ac.uk/chebi/searchId.do?chebiId=73387 73387] | ||
| Line 26: | Line 22: | ||
* PUBCHEM: | * PUBCHEM: | ||
** [http://pubchem.ncbi.nlm.nih.gov/summary/summary.cgi?cid=194166 194166] | ** [http://pubchem.ncbi.nlm.nih.gov/summary/summary.cgi?cid=194166 194166] | ||
| + | * LIGAND-CPD: | ||
| + | ** [http://www.genome.jp/dbget-bin/www_bget?C20624 C20624] | ||
| + | * CHEMSPIDER: | ||
| + | ** [http://www.chemspider.com/Chemical-Structure.168476.html 168476] | ||
{{#set: smiles=CC(C)CCCC(C)CCCC(C)CCCC(C)CCCC(C)CCCC(C)CCC2(=C(SC)C(=O)C1(=C(SC=C1)C(=O)2))}} | {{#set: smiles=CC(C)CCCC(C)CCCC(C)CCCC(C)CCCC(C)CCCC(C)CCC2(=C(SC)C(=O)C1(=C(SC=C1)C(=O)2))}} | ||
| + | {{#set: molecular weight=631.069 }} | ||
{{#set: inchi key=InChIKey=GHRWXPXOBGRSHG-UHFFFAOYSA-N}} | {{#set: inchi key=InChIKey=GHRWXPXOBGRSHG-UHFFFAOYSA-N}} | ||
{{#set: common name=caldariellaquinone}} | {{#set: common name=caldariellaquinone}} | ||
| − | |||
{{#set: common name=6-(3,7,11,15,19,23-hexamethyltetracosyl)-5-(methylsulfanyl)-1-benzothiophene-4,7-dione}} | {{#set: common name=6-(3,7,11,15,19,23-hexamethyltetracosyl)-5-(methylsulfanyl)-1-benzothiophene-4,7-dione}} | ||
{{#set: consumed by=RXN-15378}} | {{#set: consumed by=RXN-15378}} | ||
Latest revision as of 15:12, 9 January 2019
Contents
Metabolite CPD-9612
- smiles:
- CC(C)CCCC(C)CCCC(C)CCCC(C)CCCC(C)CCCC(C)CCC2(=C(SC)C(=O)C1(=C(SC=C1)C(=O)2))
- molecular weight:
- 631.069
- inchi key:
- InChIKey=GHRWXPXOBGRSHG-UHFFFAOYSA-N
- common name:
- caldariellaquinone
- Synonym(s):
- 6-(3,7,11,15,19,23-hexamethyltetracosyl)-5-(methylsulfanyl)-1-benzothiophene-4,7-dione
Reaction(s) known to consume the compound
Reaction(s) known to produce the compound
Reaction(s) of unknown directionality
External links
