Difference between revisions of "CPD-10261"

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(Created page with "Category:Metabolite == Metabolite [http://metacyc.org/META/NEW-IMAGE?object=4-P-PANTOTHENATE 4-P-PANTOTHENATE] == * smiles: ** CC(C(C(=O)NCCC(=O)[O-])O)(COP([O-])([O-])=O)...")
(Created page with "Category:Metabolite == Metabolite [http://metacyc.org/META/NEW-IMAGE?object=CPD-10261 CPD-10261] == * smiles: ** CCCCCCCCCCCCCCCC(O)CC(=O)SCCNC(=O)CCNC(C(O)C(C)(C)COP([O-]...")
 
(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=4-P-PANTOTHENATE 4-P-PANTOTHENATE] ==
+
== Metabolite [http://metacyc.org/META/NEW-IMAGE?object=CPD-10261 CPD-10261] ==
 
* smiles:
 
* smiles:
** CC(C(C(=O)NCCC(=O)[O-])O)(COP([O-])([O-])=O)C
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** CCCCCCCCCCCCCCCC(O)CC(=O)SCCNC(=O)CCNC(C(O)C(C)(C)COP([O-])(=O)OP([O-])(=O)OCC1(C(OP(=O)([O-])[O-])C(O)C(O1)N3(C=NC2(C(N)=NC=NC=23))))=O
* inchi key:
+
** InChIKey=XHFVGHPGDLDEQO-ZETCQYMHSA-K
+
 
* common name:
 
* common name:
** (R)-4'-phosphopantothenate
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** (3R)-3-hydroxy-stearoyl-CoA
 +
* inchi key:
 +
** InChIKey=WZMAIEGYXCOYSH-MKPUJKMASA-J
 
* molecular weight:
 
* molecular weight:
** 296.193    
+
** 1045.968    
 
* Synonym(s):
 
* Synonym(s):
** 4'-phosphopantothenate
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** (3R)-3-hydroxyoctadecanoyl-CoA
** 4'-P-Pantothenate
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** β-hydroxystearoyl-CoA
** D-4'-phosphopantothenate
+
  
 
== Reaction(s) known to consume the compound ==
 
== Reaction(s) known to consume the compound ==
* [[P-PANTOCYSLIG-RXN]]
 
* [[RXN66-555]]
 
 
== Reaction(s) known to produce the compound ==
 
== Reaction(s) known to produce the compound ==
* [[PANTOTHENATE-KIN-RXN]]
+
* [[RXN-9544]]
 
== Reaction(s) of unknown directionality ==
 
== Reaction(s) of unknown directionality ==
 
== External links  ==
 
== External links  ==
* BIGG : 4ppan
 
 
* PUBCHEM:
 
* PUBCHEM:
** [http://pubchem.ncbi.nlm.nih.gov/summary/summary.cgi?cid=16755653 16755653]
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** [http://pubchem.ncbi.nlm.nih.gov/summary/summary.cgi?cid=46173131 46173131]
* HMDB : HMDB01016
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* HMDB : HMDB12715
* LIGAND-CPD:
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** [http://www.genome.jp/dbget-bin/www_bget?C03492 C03492]
+
 
* CHEBI:
 
* CHEBI:
** [http://www.ebi.ac.uk/chebi/searchId.do?chebiId=10986 10986]
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** [http://www.ebi.ac.uk/chebi/searchId.do?chebiId=76374 76374]
* METABOLIGHTS : MTBLC10986
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* LIGAND-CPD:
{{#set: smiles=CC(C(C(=O)NCCC(=O)[O-])O)(COP([O-])([O-])=O)C}}
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** [http://www.genome.jp/dbget-bin/www_bget?C16217 C16217]
{{#set: inchi key=InChIKey=XHFVGHPGDLDEQO-ZETCQYMHSA-K}}
+
{{#set: smiles=CCCCCCCCCCCCCCCC(O)CC(=O)SCCNC(=O)CCNC(C(O)C(C)(C)COP([O-])(=O)OP([O-])(=O)OCC1(C(OP(=O)([O-])[O-])C(O)C(O1)N3(C=NC2(C(N)=NC=NC=23))))=O}}
{{#set: common name=(R)-4'-phosphopantothenate}}
+
{{#set: common name=(3R)-3-hydroxy-stearoyl-CoA}}
{{#set: molecular weight=296.193   }}
+
{{#set: inchi key=InChIKey=WZMAIEGYXCOYSH-MKPUJKMASA-J}}
{{#set: common name=4'-phosphopantothenate|4'-P-Pantothenate|D-4'-phosphopantothenate}}
+
{{#set: molecular weight=1045.968   }}
{{#set: consumed by=P-PANTOCYSLIG-RXN|RXN66-555}}
+
{{#set: common name=(3R)-3-hydroxyoctadecanoyl-CoA|β-hydroxystearoyl-CoA}}
{{#set: produced by=PANTOTHENATE-KIN-RXN}}
+
{{#set: produced by=RXN-9544}}

Latest revision as of 19:46, 21 March 2018

Metabolite CPD-10261

  • smiles:
    • CCCCCCCCCCCCCCCC(O)CC(=O)SCCNC(=O)CCNC(C(O)C(C)(C)COP([O-])(=O)OP([O-])(=O)OCC1(C(OP(=O)([O-])[O-])C(O)C(O1)N3(C=NC2(C(N)=NC=NC=23))))=O
  • common name:
    • (3R)-3-hydroxy-stearoyl-CoA
  • inchi key:
    • InChIKey=WZMAIEGYXCOYSH-MKPUJKMASA-J
  • molecular weight:
    • 1045.968
  • Synonym(s):
    • (3R)-3-hydroxyoctadecanoyl-CoA
    • β-hydroxystearoyl-CoA

Reaction(s) known to consume the compound

Reaction(s) known to produce the compound

Reaction(s) of unknown directionality

External links

"CCCCCCCCCCCCCCCC(O)CC(=O)SCCNC(=O)CCNC(C(O)C(C)(C)COP([O-])(=O)OP([O-])(=O)OCC1(C(OP(=O)([O-])[O-])C(O)C(O1)N3(C=NC2(C(N)=NC=NC=23))))=O" cannot be used as a page name in this wiki.