Difference between revisions of "CPD-375"

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(Created page with "Category:Metabolite == Metabolite [http://metacyc.org/META/NEW-IMAGE?object=PHOSPHORYL-CHOLINE PHOSPHORYL-CHOLINE] == * smiles: ** C[N+](CCOP([O-])([O-])=O)(C)C * inchi ke...")
(Created page with "Category:Metabolite == Metabolite [http://metacyc.org/META/NEW-IMAGE?object=3-HYDROXYADIPYL-COA 3-HYDROXYADIPYL-COA] == * smiles: ** CC(C)(C(O)C(=O)NCCC(=O)NCCSC(CC(CCC(=O...")
Line 1: Line 1:
 
[[Category:Metabolite]]
 
[[Category:Metabolite]]
== Metabolite [http://metacyc.org/META/NEW-IMAGE?object=PHOSPHORYL-CHOLINE PHOSPHORYL-CHOLINE] ==
+
== Metabolite [http://metacyc.org/META/NEW-IMAGE?object=3-HYDROXYADIPYL-COA 3-HYDROXYADIPYL-COA] ==
 
* smiles:
 
* smiles:
** C[N+](CCOP([O-])([O-])=O)(C)C
+
** CC(C)(C(O)C(=O)NCCC(=O)NCCSC(CC(CCC(=O)[O-])O)=O)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-]
 
* inchi key:
 
* inchi key:
** InChIKey=YHHSONZFOIEMCP-UHFFFAOYSA-M
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** InChIKey=OTEACGAEDCIMBS-NOTSHUFBSA-I
 
* common name:
 
* common name:
** phosphocholine
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** (3S)-hydroxyadipyl-CoA
 
* molecular weight:
 
* molecular weight:
** 182.136    
+
** 906.621    
 
* Synonym(s):
 
* Synonym(s):
** choline-phosphate
 
** phosphoryl-choline
 
** O-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 ==
* [[SPHINGOMYELIN-PHOSPHODIESTERASE-RXN]]
 
* [[RXN-15212]]
 
* [[CHOLINE-KINASE-RXN]]
 
 
== Reaction(s) of unknown directionality ==
 
== Reaction(s) of unknown directionality ==
 +
* [[RXN-2425]]
 +
* [[RXN0-2044]]
 +
* [[RXN0-6513]]
 
== External links  ==
 
== External links  ==
* CAS : 107-73-3
 
 
* PUBCHEM:
 
* PUBCHEM:
** [http://pubchem.ncbi.nlm.nih.gov/summary/summary.cgi?cid=3330960 3330960]
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** [http://pubchem.ncbi.nlm.nih.gov/summary/summary.cgi?cid=70679061 70679061]
* HMDB : HMDB01565
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* LIGAND-CPD:
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** [http://www.genome.jp/dbget-bin/www_bget?C00588 C00588]
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* CHEMSPIDER:
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** [http://www.chemspider.com/Chemical-Structure.2578067.html 2578067]
+
 
* CHEBI:
 
* CHEBI:
** [http://www.ebi.ac.uk/chebi/searchId.do?chebiId=295975 295975]
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** [http://www.ebi.ac.uk/chebi/searchId.do?chebiId=70990 70990]
* METABOLIGHTS : MTBLC295975
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* LIGAND-CPD:
{{#set: smiles=C[N+](CCOP([O-])([O-])=O)(C)C}}
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** [http://www.genome.jp/dbget-bin/www_bget?C14145 C14145]
{{#set: inchi key=InChIKey=YHHSONZFOIEMCP-UHFFFAOYSA-M}}
+
* HMDB : HMDB12475
{{#set: common name=phosphocholine}}
+
{{#set: smiles=CC(C)(C(O)C(=O)NCCC(=O)NCCSC(CC(CCC(=O)[O-])O)=O)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-]}}
{{#set: molecular weight=182.136   }}
+
{{#set: inchi key=InChIKey=OTEACGAEDCIMBS-NOTSHUFBSA-I}}
{{#set: common name=choline-phosphate|phosphoryl-choline|O-phosphocholine}}
+
{{#set: common name=(3S)-hydroxyadipyl-CoA}}
{{#set: produced by=SPHINGOMYELIN-PHOSPHODIESTERASE-RXN|RXN-15212|CHOLINE-KINASE-RXN}}
+
{{#set: molecular weight=906.621   }}
 +
{{#set: reversible reaction associated=RXN-2425|RXN0-2044|RXN0-6513}}

Revision as of 18:56, 18 March 2018

Metabolite 3-HYDROXYADIPYL-COA

  • smiles:
    • CC(C)(C(O)C(=O)NCCC(=O)NCCSC(CC(CCC(=O)[O-])O)=O)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-]
  • inchi key:
    • InChIKey=OTEACGAEDCIMBS-NOTSHUFBSA-I
  • common name:
    • (3S)-hydroxyadipyl-CoA
  • molecular weight:
    • 906.621
  • Synonym(s):

Reaction(s) known to consume the compound

Reaction(s) known to produce the compound

Reaction(s) of unknown directionality

External links

"CC(C)(C(O)C(=O)NCCC(=O)NCCSC(CC(CCC(=O)[O-])O)=O)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-" cannot be used as a page name in this wiki.