Difference between revisions of "CPD-8343"

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(Created page with "Category:Metabolite == Metabolite [http://metacyc.org/META/NEW-IMAGE?object=CPD-1137 CPD-1137] == * smiles: ** C=C(CC(SCCNC(=O)CCNC(=O)C(O)C(C)(C)COP(=O)(OP(=O)(OCC1(C(OP(...")
(Created page with "Category:Metabolite == Metabolite [http://metacyc.org/META/NEW-IMAGE?object=CPD-8343 CPD-8343] == * smiles: ** CCCCCCCCCCCCCCCC(OCC(O)COP([O-])(=O)OCC[N+](C)(C)C)=O * comm...")
 
Line 1: Line 1:
 
[[Category:Metabolite]]
 
[[Category:Metabolite]]
== Metabolite [http://metacyc.org/META/NEW-IMAGE?object=CPD-1137 CPD-1137] ==
+
== Metabolite [http://metacyc.org/META/NEW-IMAGE?object=CPD-8343 CPD-8343] ==
 
* smiles:
 
* smiles:
** C=C(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([O-])=O
+
** CCCCCCCCCCCCCCCC(OCC(O)COP([O-])(=O)OCC[N+](C)(C)C)=O
 
* common name:
 
* common name:
** itaconyl-CoA
+
** 1-16:0-2-lysophosphatidylcholine
 
* inchi key:
 
* inchi key:
** InChIKey=NFVGYLGSSJPRKW-CITAKDKDSA-I
+
** InChIKey=ASWBNKHCZGQVJV-HSZRJFAPSA-N
 
* molecular weight:
 
* molecular weight:
** 874.579    
+
** 495.635    
 
* Synonym(s):
 
* Synonym(s):
 +
** 1-16:0-lysoPC
 +
** 1-hexadecanoyl-sn-glycero-3-phosphocholine
  
 
== 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-8988]]
+
* [[RXN-15065]]
 
== Reaction(s) of unknown directionality ==
 
== Reaction(s) of unknown directionality ==
 +
* [[RXN-15066]]
 
== External links  ==
 
== External links  ==
 +
* PUBCHEM:
 +
** [http://pubchem.ncbi.nlm.nih.gov/summary/summary.cgi?cid=460602 460602]
 +
* HMDB : HMDB10382
 
* LIGAND-CPD:
 
* LIGAND-CPD:
** [http://www.genome.jp/dbget-bin/www_bget?C00531 C00531]
+
** [http://www.genome.jp/dbget-bin/www_bget?C04102 C04102]
* HMDB : HMDB03377
+
* CHEMSPIDER:
 +
** [http://www.chemspider.com/Chemical-Structure.78064.html 78064]
 
* CHEBI:
 
* CHEBI:
** [http://www.ebi.ac.uk/chebi/searchId.do?chebiId=57381 57381]
+
** [http://www.ebi.ac.uk/chebi/searchId.do?chebiId=72998 72998]
* METABOLIGHTS : MTBLC57381
+
* METABOLIGHTS : MTBLC72998
* PUBCHEM:
+
{{#set: smiles=CCCCCCCCCCCCCCCC(OCC(O)COP([O-])(=O)OCC[N+](C)(C)C)=O}}
** [http://pubchem.ncbi.nlm.nih.gov/summary/summary.cgi?cid=45266606 45266606]
+
{{#set: common name=1-16:0-2-lysophosphatidylcholine}}
{{#set: smiles=C=C(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([O-])=O}}
+
{{#set: inchi key=InChIKey=ASWBNKHCZGQVJV-HSZRJFAPSA-N}}
{{#set: common name=itaconyl-CoA}}
+
{{#set: molecular weight=495.635   }}
{{#set: inchi key=InChIKey=NFVGYLGSSJPRKW-CITAKDKDSA-I}}
+
{{#set: common name=1-16:0-lysoPC|1-hexadecanoyl-sn-glycero-3-phosphocholine}}
{{#set: molecular weight=874.579   }}
+
{{#set: produced by=RXN-15065}}
{{#set: produced by=RXN-8988}}
+
{{#set: reversible reaction associated=RXN-15066}}

Latest revision as of 21:04, 21 March 2018

Metabolite CPD-8343

  • smiles:
    • CCCCCCCCCCCCCCCC(OCC(O)COP([O-])(=O)OCC[N+](C)(C)C)=O
  • common name:
    • 1-16:0-2-lysophosphatidylcholine
  • inchi key:
    • InChIKey=ASWBNKHCZGQVJV-HSZRJFAPSA-N
  • molecular weight:
    • 495.635
  • Synonym(s):
    • 1-16:0-lysoPC
    • 1-hexadecanoyl-sn-glycero-3-phosphocholine

Reaction(s) known to consume the compound

Reaction(s) known to produce the compound

Reaction(s) of unknown directionality

External links

  • PUBCHEM:
  • HMDB : HMDB10382
  • LIGAND-CPD:
  • CHEMSPIDER:
  • CHEBI:
  • METABOLIGHTS : MTBLC72998
"CCCCCCCCCCCCCCCC(OCC(O)COP([O-])(=O)OCC[N+](C)(C)C)=O" cannot be used as a page name in this wiki.