Difference between revisions of "CPD-8843"

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(Created page with "Category:Metabolite == Metabolite [http://metacyc.org/META/NEW-IMAGE?object=CPD-17387 CPD-17387] == * smiles: ** CCC=CCC=CCC=CCC=CCC=CCC=CCCC(O)CC(SCCNC(=O)CCNC(=O)C(O)C(C...")
 
 
(One intermediate revision by the same user not shown)
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[[Category:Metabolite]]
 
[[Category:Metabolite]]
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== Metabolite [http://metacyc.org/META/NEW-IMAGE?object=CPD-17387 CPD-17387] ==
+
== Metabolite [http://metacyc.org/META/NEW-IMAGE?object=CPD-8843 CPD-8843] ==
 
* smiles:
 
* smiles:
−
** CCC=CCC=CCC=CCC=CCC=CCC=CCCC(O)CC(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
+
** C=CC(CCC=C(CCC=C(C)C)C)(O)C
 +
* molecular weight:
 +
** 222.37   
 
* inchi key:
 
* inchi key:
−
** InChIKey=JJCGUWRDULVWQG-DRXNPIJBSA-J
+
** InChIKey=FQTLCLSUCSAZDY-GOFCXVBSSA-N
 
* common name:
 
* common name:
−
** (3S)-hydroxy-(6Z,9Z,12Z,15Z,18Z,21Z)-tetracosahexaenoyl-CoA
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** (3R,6E)-nerolidol
−
* molecular weight:
+
−
** 1118.034   
+
 
* Synonym(s):
 
* Synonym(s):
−
** (3S)-hydroxy-(6Z,9Z,12Z,15Z,18Z,21Z)-tetracosa-6,9,12,15,18,21-hexaenoyl-CoA
+
** (E)-nerolidol
 +
** (3R)-(E)-nerolidol
  
 
== Reaction(s) known to consume the compound ==
 
== Reaction(s) known to consume the compound ==
 +
* [[RXN-8619]]
 
== Reaction(s) known to produce the compound ==
 
== Reaction(s) known to produce the compound ==
−
* [[RXN-16135]]
+
* [[RXN-11575]]
 
== Reaction(s) of unknown directionality ==
 
== Reaction(s) of unknown directionality ==
 
== External links  ==
 
== External links  ==
−
* PUBCHEM:
 
−
** [http://pubchem.ncbi.nlm.nih.gov/summary/summary.cgi?cid=72193742 72193742]
 
 
* CHEBI:
 
* CHEBI:
−
** [http://www.ebi.ac.uk/chebi/searchId.do?chebiId=76356 76356]
+
** [http://www.ebi.ac.uk/chebi/searchId.do?chebiId=59959 59959]
−
{{#set: smiles=CCC=CCC=CCC=CCC=CCC=CCC=CCCC(O)CC(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}}
+
* PUBCHEM:
−
{{#set: inchi key=InChIKey=JJCGUWRDULVWQG-DRXNPIJBSA-J}}
+
** [http://pubchem.ncbi.nlm.nih.gov/summary/summary.cgi?cid=11241545 11241545]
−
{{#set: common name=(3S)-hydroxy-(6Z,9Z,12Z,15Z,18Z,21Z)-tetracosahexaenoyl-CoA}}
+
* LIGAND-CPD:
−
{{#set: molecular weight=1118.034    }}
+
** [http://www.genome.jp/dbget-bin/www_bget?C19746 C19746]
−
{{#set: common name=(3S)-hydroxy-(6Z,9Z,12Z,15Z,18Z,21Z)-tetracosa-6,9,12,15,18,21-hexaenoyl-CoA}}
+
* CHEMSPIDER:
−
{{#set: produced by=RXN-16135}}
+
** [http://www.chemspider.com/Chemical-Structure.9416582.html 9416582]
 +
{{#set: smiles=C=CC(CCC=C(CCC=C(C)C)C)(O)C}}
 +
{{#set: molecular weight=222.37    }}
 +
{{#set: inchi key=InChIKey=FQTLCLSUCSAZDY-GOFCXVBSSA-N}}
 +
{{#set: common name=(3R,6E)-nerolidol}}
 +
{{#set: common name=(E)-nerolidol|(3R)-(E)-nerolidol}}
 +
{{#set: consumed by=RXN-8619}}
 +
{{#set: produced by=RXN-11575}}

Latest revision as of 18:04, 9 January 2019

Metabolite CPD-8843

  • smiles:
    • C=CC(CCC=C(CCC=C(C)C)C)(O)C
  • molecular weight:
    • 222.37
  • inchi key:
    • InChIKey=FQTLCLSUCSAZDY-GOFCXVBSSA-N
  • common name:
    • (3R,6E)-nerolidol
  • Synonym(s):
    • (E)-nerolidol
    • (3R)-(E)-nerolidol

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/ccrgem/index.php?title=CPD-8843&oldid=23846"