Difference between revisions of "CPD-7032"

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(Created page with "Category:Metabolite == Metabolite [http://metacyc.org/META/NEW-IMAGE?object=CPD-14925 CPD-14925] == * smiles: ** CCCCCCC=CCC(SCCNC(=O)CCNC(=O)C(O)C(C)(C)COP(=O)(OP(=O)(OCC...")
(Created page with "Category:Metabolite == Metabolite [http://metacyc.org/META/NEW-IMAGE?object=CPD-7032 CPD-7032] == * smiles: ** CC(CCO)C * common name: ** 3-methylbutanol * inchi key: ** I...")
 
(2 intermediate revisions by the same user not shown)
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[[Category:Metabolite]]
 
[[Category:Metabolite]]
−
== Metabolite [http://metacyc.org/META/NEW-IMAGE?object=CPD-14925 CPD-14925] ==
+
== Metabolite [http://metacyc.org/META/NEW-IMAGE?object=CPD-7032 CPD-7032] ==
 
* smiles:
 
* smiles:
−
** CCCCCCC=CCC(SCCNC(=O)CCNC(=O)C(O)C(C)(C)COP(=O)(OP(=O)(OCC1(C(OP([O-])(=O)[O-])C(O)C(O1)N3(C2(=C(C(N)=NC=N2)N=C3))))[O-])[O-])=O
+
** CC(CCO)C
−
* inchi key:
+
−
** InChIKey=CQGVNMQHZQJNII-UUSBZYPOSA-J
+
 
* common name:
 
* common name:
−
** 3-cis-decenoyl-CoA
+
** 3-methylbutanol
 +
* inchi key:
 +
** InChIKey=PHTQWCKDNZKARW-UHFFFAOYSA-N
 
* molecular weight:
 
* molecular weight:
−
** 915.738    
+
** 88.149    
 
* Synonym(s):
 
* Synonym(s):
−
** (3Z)-dec-3-enoyl-CoA
+
** isoamyl alcohol
−
** 10:1(n-7)-CoA
+
** isopentanol
−
** 10:1-Δ3-CoA
+
−
** (3Z)-decenoyl-CoA
+
  
 
== Reaction(s) known to consume the compound ==
 
== Reaction(s) known to consume the compound ==
 
== Reaction(s) known to produce the compound ==
 
== Reaction(s) known to produce the compound ==
−
* [[RXN-17799]]
 
 
== Reaction(s) of unknown directionality ==
 
== Reaction(s) of unknown directionality ==
 +
* [[RXN-7693]]
 
== External links  ==
 
== External links  ==
 +
* DRUGBANK : DB02296
 
* PUBCHEM:
 
* PUBCHEM:
−
** [http://pubchem.ncbi.nlm.nih.gov/summary/summary.cgi?cid=90659267 90659267]
+
** [http://pubchem.ncbi.nlm.nih.gov/summary/summary.cgi?cid=31260 31260]
−
{{#set: smiles=CCCCCCC=CCC(SCCNC(=O)CCNC(=O)C(O)C(C)(C)COP(=O)(OP(=O)(OCC1(C(OP([O-])(=O)[O-])C(O)C(O1)N3(C2(=C(C(N)=NC=N2)N=C3))))[O-])[O-])=O}}
+
* HMDB : HMDB06007
−
{{#set: inchi key=InChIKey=CQGVNMQHZQJNII-UUSBZYPOSA-J}}
+
* LIGAND-CPD:
−
{{#set: common name=3-cis-decenoyl-CoA}}
+
** [http://www.genome.jp/dbget-bin/www_bget?C07328 C07328]
−
{{#set: molecular weight=915.738   }}
+
* CHEMSPIDER:
−
{{#set: common name=(3Z)-dec-3-enoyl-CoA|10:1(n-7)-CoA|10:1-Δ3-CoA|(3Z)-decenoyl-CoA}}
+
** [http://www.chemspider.com/Chemical-Structure.13500715.html 13500715]
−
{{#set: produced by=RXN-17799}}
+
* CHEBI:
 +
** [http://www.ebi.ac.uk/chebi/searchId.do?chebiId=15837 15837]
 +
{{#set: smiles=CC(CCO)C}}
 +
{{#set: common name=3-methylbutanol}}
 +
{{#set: inchi key=InChIKey=PHTQWCKDNZKARW-UHFFFAOYSA-N}}
 +
{{#set: molecular weight=88.149   }}
 +
{{#set: common name=isoamyl alcohol|isopentanol}}
 +
{{#set: reversible reaction associated=RXN-7693}}

Latest revision as of 19:55, 21 March 2018

Metabolite CPD-7032

  • smiles:
    • CC(CCO)C
  • common name:
    • 3-methylbutanol
  • inchi key:
    • InChIKey=PHTQWCKDNZKARW-UHFFFAOYSA-N
  • molecular weight:
    • 88.149
  • Synonym(s):
    • isoamyl alcohol
    • isopentanol

Reaction(s) known to consume the compound

Reaction(s) known to produce the compound

Reaction(s) of unknown directionality

External links




Retrieved from "http://gem-aureme.irisa.fr/tisogem/index.php?title=CPD-7032&oldid=44613"