Difference between revisions of "CPD-1130"

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(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 * inch...")
 
(Created page with "Category:Metabolite == Metabolite [http://metacyc.org/META/NEW-IMAGE?object=CPD1G-774 CPD1G-774] == * smiles: ** CCCCCCCCCCCCCCCCCCCCCCCCCCC(C(=O)OCC2(C(O)C(O)C(O)C(OC1(C(...")
Line 1: Line 1:
 
[[Category:Metabolite]]
 
[[Category:Metabolite]]
−
== Metabolite [http://metacyc.org/META/NEW-IMAGE?object=CPD-8343 CPD-8343] ==
+
== Metabolite [http://metacyc.org/META/NEW-IMAGE?object=CPD1G-774 CPD1G-774] ==
 
* smiles:
 
* smiles:
−
** CCCCCCCCCCCCCCCC(OCC(O)COP([O-])(=O)OCC[N+](C)(C)C)=O
+
** CCCCCCCCCCCCCCCCCCCCCCCCCCC(C(=O)OCC2(C(O)C(O)C(O)C(OC1(C(O)C(O)C(O)C(COP(=O)([O-])[O-])O1))O2))C(O)CCCCCCCCCCCCCCCCC3(CC3C(C)CCCCCCCCCCCCCCCCC(=O)C(C)CCCCCCCCCCCCCCCCC)
 
* inchi key:
 
* inchi key:
−
** InChIKey=ASWBNKHCZGQVJV-HSZRJFAPSA-N
+
** InChIKey=WFTJPLICCFEYDD-UQWWGAJESA-L
 
* common name:
 
* common name:
−
** 1-16:0-2-lysophosphatidylcholine
+
** 6-O-trans-keto-mycolyl-trehalose 6-phosphate
 
* molecular weight:
 
* molecular weight:
−
** 495.635    
+
** 1668.519    
 
* 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 ==
 +
* [[RXN1G-1439]]
 
== Reaction(s) known to produce the compound ==
 
== Reaction(s) known to produce the compound ==
−
* [[RXN-15065]]
 
 
== Reaction(s) of unknown directionality ==
 
== Reaction(s) of unknown directionality ==
−
* [[RXN-15066]]
 
 
== External links  ==
 
== External links  ==
 
* PUBCHEM:
 
* PUBCHEM:
−
** [http://pubchem.ncbi.nlm.nih.gov/summary/summary.cgi?cid=460602 460602]
+
** [http://pubchem.ncbi.nlm.nih.gov/summary/summary.cgi?cid=90658437 90658437]
−
* HMDB : HMDB10382
+
{{#set: smiles=CCCCCCCCCCCCCCCCCCCCCCCCCCC(C(=O)OCC2(C(O)C(O)C(O)C(OC1(C(O)C(O)C(O)C(COP(=O)([O-])[O-])O1))O2))C(O)CCCCCCCCCCCCCCCCC3(CC3C(C)CCCCCCCCCCCCCCCCC(=O)C(C)CCCCCCCCCCCCCCCCC)}}
−
* LIGAND-CPD:
+
{{#set: inchi key=InChIKey=WFTJPLICCFEYDD-UQWWGAJESA-L}}
−
** [http://www.genome.jp/dbget-bin/www_bget?C04102 C04102]
+
{{#set: common name=6-O-trans-keto-mycolyl-trehalose 6-phosphate}}
−
* CHEMSPIDER:
+
{{#set: molecular weight=1668.519   }}
−
** [http://www.chemspider.com/Chemical-Structure.78064.html 78064]
+
{{#set: consumed by=RXN1G-1439}}
−
* CHEBI:
+
−
** [http://www.ebi.ac.uk/chebi/searchId.do?chebiId=72998 72998]
+
−
* METABOLIGHTS : MTBLC72998
+
−
{{#set: smiles=CCCCCCCCCCCCCCCC(OCC(O)COP([O-])(=O)OCC[N+](C)(C)C)=O}}
+
−
{{#set: inchi key=InChIKey=ASWBNKHCZGQVJV-HSZRJFAPSA-N}}
+
−
{{#set: common name=1-16:0-2-lysophosphatidylcholine}}
+
−
{{#set: molecular weight=495.635   }}
+
−
{{#set: common name=1-16:0-lysoPC|1-hexadecanoyl-sn-glycero-3-phosphocholine}}
+
−
{{#set: produced by=RXN-15065}}
+
−
{{#set: consumed or produced by=RXN-15066}}
+

Revision as of 22:37, 17 March 2018

Metabolite CPD1G-774

  • smiles:
    • CCCCCCCCCCCCCCCCCCCCCCCCCCC(C(=O)OCC2(C(O)C(O)C(O)C(OC1(C(O)C(O)C(O)C(COP(=O)([O-])[O-])O1))O2))C(O)CCCCCCCCCCCCCCCCC3(CC3C(C)CCCCCCCCCCCCCCCCC(=O)C(C)CCCCCCCCCCCCCCCCC)
  • inchi key:
    • InChIKey=WFTJPLICCFEYDD-UQWWGAJESA-L
  • common name:
    • 6-O-trans-keto-mycolyl-trehalose 6-phosphate
  • molecular weight:
    • 1668.519
  • Synonym(s):

Reaction(s) known to consume the compound

Reaction(s) known to produce the compound

Reaction(s) of unknown directionality

External links

"CCCCCCCCCCCCCCCCCCCCCCCCCCC(C(=O)OCC2(C(O)C(O)C(O)C(OC1(C(O)C(O)C(O)C(COP(=O)([O-])[O-])O1))O2))C(O)CCCCCCCCCCCCCCCCC3(CC3C(C)CCCCCCCCCCCCCCCCC(=O)C(C)CCCCCCCCCCCCCCCCC)" cannot be used as a page name in this wiki.



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