Difference between revisions of "CPD-7117"

From metabolic_network
Jump to: navigation, search
(Created page with "Category:Metabolite == Metabolite [http://metacyc.org/META/NEW-IMAGE?object=CPD-10280 CPD-10280] == * smiles: ** CCCCCCCCCCCCCCCCCCCCCCCC(=O)SCCNC(=O)CCNC(C(O)C(C)(C)COP([...")
 
(Created page with "Category:Metabolite == Metabolite [http://metacyc.org/META/NEW-IMAGE?object=CPD-7117 CPD-7117] == * smiles: ** C(O)C1(C(O)C(O)C(O)C(O1)OC3(C(C2(C=C(O)C(O)=C(O)C=2))=[O+]C4...")
Line 1: Line 1:
 
[[Category:Metabolite]]
 
[[Category:Metabolite]]
−
== Metabolite [http://metacyc.org/META/NEW-IMAGE?object=CPD-10280 CPD-10280] ==
+
== Metabolite [http://metacyc.org/META/NEW-IMAGE?object=CPD-7117 CPD-7117] ==
 
* smiles:
 
* smiles:
−
** CCCCCCCCCCCCCCCCCCCCCCCC(=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
+
** C(O)C1(C(O)C(O)C(O)C(O1)OC3(C(C2(C=C(O)C(O)=C(O)C=2))=[O+]C4(C(C=3)=C([O-])C=C([O-])C=4)))
−
* common name:
+
−
** lignoceroyl-CoA
+
 
* inchi key:
 
* inchi key:
−
** InChIKey=MOYMQYZWIUKGGY-JBKAVQFISA-J
+
** InChIKey=XENHPQQLDPAYIJ-PEVLUNPASA-M
 +
* common name:
 +
** delphinidin-3-O-β-D-glucoside
 
* molecular weight:
 
* molecular weight:
−
** 1114.129    
+
** 463.374    
 
* Synonym(s):
 
* Synonym(s):
 +
** delfinidin-3-O-glucoside
  
 
== Reaction(s) known to consume the compound ==
 
== Reaction(s) known to consume the compound ==
−
* [[THIOESTER-RXN[CCO-CYTOSOL]-CPD-10280/WATER//TETRACOSANOATE/CO-A/PROTON.57.]]
+
* [[RXN-8228]]
 
== Reaction(s) known to produce the compound ==
 
== Reaction(s) known to produce the compound ==
−
* [[TRANS-2-ENOYL-COA-REDUCTASE-NAD+-RXN-CPD-10280/NAD//CPD-14282/NADH/PROTON.37.]]
 
−
* [[RXN-13308]]
 
 
== Reaction(s) of unknown directionality ==
 
== Reaction(s) of unknown directionality ==
−
* [[ACECOATRANS-RXN-CPD-10280/ACET//TETRACOSANOATE/ACETYL-COA.42.]]
 
−
* [[RXN-16415-TETRACOSANOATE/ATP/CO-A//CPD-10280/AMP/PPI.43.]]
 
 
== External links  ==
 
== External links  ==
 +
* LIPID_MAPS : LMPK12010278
 
* PUBCHEM:
 
* PUBCHEM:
−
** [http://pubchem.ncbi.nlm.nih.gov/summary/summary.cgi?cid=25201814 25201814]
+
** [http://pubchem.ncbi.nlm.nih.gov/summary/summary.cgi?cid=102515359 102515359]
 
* CHEBI:
 
* CHEBI:
−
** [http://www.ebi.ac.uk/chebi/searchId.do?chebiId=65052 65052]
+
** [http://www.ebi.ac.uk/chebi/searchId.do?chebiId=31463 31463]
−
{{#set: smiles=CCCCCCCCCCCCCCCCCCCCCCCC(=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}}
+
* LIGAND-CPD:
−
{{#set: common name=lignoceroyl-CoA}}
+
** [http://www.genome.jp/dbget-bin/www_bget?C12138 C12138]
−
{{#set: inchi key=InChIKey=MOYMQYZWIUKGGY-JBKAVQFISA-J}}
+
* HMDB : HMDB37997
−
{{#set: molecular weight=1114.129   }}
+
{{#set: smiles=C(O)C1(C(O)C(O)C(O)C(O1)OC3(C(C2(C=C(O)C(O)=C(O)C=2))=[O+]C4(C(C=3)=C([O-])C=C([O-])C=4)))}}
−
{{#set: consumed by=THIOESTER-RXN[CCO-CYTOSOL]-CPD-10280/WATER//TETRACOSANOATE/CO-A/PROTON.57.}}
+
{{#set: inchi key=InChIKey=XENHPQQLDPAYIJ-PEVLUNPASA-M}}
−
{{#set: produced by=TRANS-2-ENOYL-COA-REDUCTASE-NAD+-RXN-CPD-10280/NAD//CPD-14282/NADH/PROTON.37.|RXN-13308}}
+
{{#set: common name=delphinidin-3-O-β-D-glucoside}}
−
{{#set: consumed or produced by=ACECOATRANS-RXN-CPD-10280/ACET//TETRACOSANOATE/ACETYL-COA.42.|RXN-16415-TETRACOSANOATE/ATP/CO-A//CPD-10280/AMP/PPI.43.}}
+
{{#set: molecular weight=463.374   }}
 +
{{#set: common name=delfinidin-3-O-glucoside}}
 +
{{#set: consumed by=RXN-8228}}

Revision as of 17:56, 23 May 2018

Metabolite CPD-7117

  • smiles:
    • C(O)C1(C(O)C(O)C(O)C(O1)OC3(C(C2(C=C(O)C(O)=C(O)C=2))=[O+]C4(C(C=3)=C([O-])C=C([O-])C=4)))
  • inchi key:
    • InChIKey=XENHPQQLDPAYIJ-PEVLUNPASA-M
  • common name:
    • delphinidin-3-O-β-D-glucoside
  • molecular weight:
    • 463.374
  • Synonym(s):
    • delfinidin-3-O-glucoside

Reaction(s) known to consume the compound

Reaction(s) known to produce the compound

Reaction(s) of unknown directionality

External links

"C(O)C1(C(O)C(O)C(O)C(O1)OC3(C(C2(C=C(O)C(O)=C(O)C=2))=[O+]C4(C(C=3)=C([O-])C=C([O-])C=4)))" cannot be used as a page name in this wiki.



Retrieved from "http://gem-aureme.irisa.fr/ccrgem/index.php?title=CPD-7117&oldid=18566"