Difference between revisions of "CPD-14916"

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(Created page with "Category:Metabolite == Metabolite [http://metacyc.org/META/NEW-IMAGE?object=CPD-12826 CPD-12826] == * smiles: ** C(NC1(C=CC(C(=O)NC(C(=O)[O-])CCC([O-])=O)=CC=1))C2(C=NC3(N...")
(Created page with "Category:Metabolite == Metabolite [http://metacyc.org/META/NEW-IMAGE?object=CPD-14916 CPD-14916] == * smiles: ** CCCCCC(CC(SCCNC(=O)CCNC(=O)C(O)C(C)(C)COP(=O)(OP(=O)(OCC1(...")
 
(One intermediate revision by the same user not shown)
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[[Category:Metabolite]]
 
[[Category:Metabolite]]
== Metabolite [http://metacyc.org/META/NEW-IMAGE?object=CPD-12826 CPD-12826] ==
+
== Metabolite [http://metacyc.org/META/NEW-IMAGE?object=CPD-14916 CPD-14916] ==
 
* smiles:
 
* smiles:
** C(NC1(C=CC(C(=O)NC(C(=O)[O-])CCC([O-])=O)=CC=1))C2(C=NC3(N=C(N)NC(=O)C(N=2)=3))
+
** CCCCCC(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)O
* inchi key:
+
** InChIKey=OVBPIULPVIDEAO-LBPRGKRZSA-L
+
 
* common name:
 
* common name:
** folate
+
** (R)-3-hydroxyoctanoyl-CoA
 +
* inchi key:
 +
** InChIKey=ATVGTMKWKDUCMS-JWBYWSJJSA-J
 
* molecular weight:
 
* molecular weight:
** 439.387    
+
** 905.7    
 
* Synonym(s):
 
* Synonym(s):
** folic acid
+
** (R)-3-hydroxyoctanoyl-CoA
 +
** (3R)-3-hydroxyoctanoyl-CoA
  
 
== Reaction(s) known to consume the compound ==
 
== Reaction(s) known to consume the compound ==
* [[3.4.17.11-RXN]]
+
* [[RXN-14275]]
 
== Reaction(s) known to produce the compound ==
 
== Reaction(s) known to produce the compound ==
 +
* [[RXN-14276]]
 
== Reaction(s) of unknown directionality ==
 
== Reaction(s) of unknown directionality ==
 
== External links  ==
 
== External links  ==
 
* PUBCHEM:
 
* PUBCHEM:
** [http://pubchem.ncbi.nlm.nih.gov/summary/summary.cgi?cid=1549092 1549092]
+
** [http://pubchem.ncbi.nlm.nih.gov/summary/summary.cgi?cid=46173319 46173319]
* CHEMSPIDER:
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** [http://www.chemspider.com/Chemical-Structure.1266060.html 1266060]
+
 
* CHEBI:
 
* CHEBI:
** [http://www.ebi.ac.uk/chebi/searchId.do?chebiId=62501 62501]
+
** [http://www.ebi.ac.uk/chebi/searchId.do?chebiId=74279 74279]
* HMDB : HMDB00121
+
* BIGG : 3hocoa
{{#set: smiles=C(NC1(C=CC(C(=O)NC(C(=O)[O-])CCC([O-])=O)=CC=1))C2(C=NC3(N=C(N)NC(=O)C(N=2)=3))}}
+
{{#set: smiles=CCCCCC(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)O}}
{{#set: inchi key=InChIKey=OVBPIULPVIDEAO-LBPRGKRZSA-L}}
+
{{#set: common name=(R)-3-hydroxyoctanoyl-CoA}}
{{#set: common name=folate}}
+
{{#set: inchi key=InChIKey=ATVGTMKWKDUCMS-JWBYWSJJSA-J}}
{{#set: molecular weight=439.387   }}
+
{{#set: molecular weight=905.7   }}
{{#set: common name=folic acid}}
+
{{#set: common name=(R)-3-hydroxyoctanoyl-CoA|(3R)-3-hydroxyoctanoyl-CoA}}
{{#set: consumed by=3.4.17.11-RXN}}
+
{{#set: consumed by=RXN-14275}}
 +
{{#set: produced by=RXN-14276}}

Latest revision as of 19:06, 21 March 2018

Metabolite CPD-14916

  • smiles:
    • CCCCCC(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)O
  • common name:
    • (R)-3-hydroxyoctanoyl-CoA
  • inchi key:
    • InChIKey=ATVGTMKWKDUCMS-JWBYWSJJSA-J
  • molecular weight:
    • 905.7
  • Synonym(s):
    • (R)-3-hydroxyoctanoyl-CoA
    • (3R)-3-hydroxyoctanoyl-CoA

Reaction(s) known to consume the compound

Reaction(s) known to produce the compound

Reaction(s) of unknown directionality

External links

"CCCCCC(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)O" cannot be used as a page name in this wiki.