Difference between revisions of "RXN-14264"

From metabolic_network
Jump to: navigation, search
(Created page with "Category:Metabolite == Metabolite [http://metacyc.org/META/NEW-IMAGE?object=CPD-17386 CPD-17386] == * smiles: ** CCC=CCC=CCC=CCC=CCC=CCC=CCCC=CC(SCCNC(=O)CCNC(=O)C(O)C(C)(...")
(Created page with "Category:Metabolite == Metabolite [http://metacyc.org/META/NEW-IMAGE?object=DIETHYLPHOSPHATE DIETHYLPHOSPHATE] == * smiles: ** CCOP(=O)([O-])OCC * inchi key: ** InChIKey=U...")
Line 1: Line 1:
 
[[Category:Metabolite]]
 
[[Category:Metabolite]]
−
== Metabolite [http://metacyc.org/META/NEW-IMAGE?object=CPD-17386 CPD-17386] ==
+
== Metabolite [http://metacyc.org/META/NEW-IMAGE?object=DIETHYLPHOSPHATE DIETHYLPHOSPHATE] ==
 
* smiles:
 
* smiles:
−
** CCC=CCC=CCC=CCC=CCC=CCC=CCCC=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
+
** CCOP(=O)([O-])OCC
 
* inchi key:
 
* inchi key:
−
** InChIKey=NVOWZIBKQIWTDG-ADUCOSNASA-J
+
** InChIKey=UCQFCFPECQILOL-UHFFFAOYSA-M
 
* common name:
 
* common name:
−
** (2E,6Z,9Z,12Z,15Z,18Z,21Z)-tetracosaheptaenoyl-CoA
+
** diethylphosphate
 
* molecular weight:
 
* molecular weight:
−
** 1100.019    
+
** 153.094    
 
* Synonym(s):
 
* Synonym(s):
−
** (2E,6Z,9Z,12Z,15Z,18Z,21Z)-tetracosa-2,6,9,12,15,18,21-heptaenoyl-CoA
+
** Diethylphosphoric acid
 +
** O,O-diethylphosphoric acid
 +
** phosphoric acid, diethyl ester
 +
** diethyl hydrogen phosphate
 +
** diethyl phosphoric acid
  
 
== Reaction(s) known to consume the compound ==
 
== Reaction(s) known to consume the compound ==
−
* [[RXN-16135]]
 
 
== Reaction(s) known to produce the compound ==
 
== Reaction(s) known to produce the compound ==
−
* [[RXN-16134]]
+
* [[RXN-8746]]
 
== Reaction(s) of unknown directionality ==
 
== Reaction(s) of unknown directionality ==
 
== External links  ==
 
== External links  ==
 +
* CAS : 598-02-7
 
* PUBCHEM:
 
* PUBCHEM:
−
** [http://pubchem.ncbi.nlm.nih.gov/summary/summary.cgi?cid=72193705 72193705]
+
** [http://pubchem.ncbi.nlm.nih.gov/summary/summary.cgi?cid=5166299 5166299]
−
* CHEBI:
+
* CHEMSPIDER:
−
** [http://www.ebi.ac.uk/chebi/searchId.do?chebiId=76360 76360]
+
** [http://www.chemspider.com/Chemical-Structure.4338966.html 4338966]
−
{{#set: smiles=CCC=CCC=CCC=CCC=CCC=CCC=CCCC=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}}
+
* LIGAND-CPD:
−
{{#set: inchi key=InChIKey=NVOWZIBKQIWTDG-ADUCOSNASA-J}}
+
** [http://www.genome.jp/dbget-bin/www_bget?C06608 C06608]
−
{{#set: common name=(2E,6Z,9Z,12Z,15Z,18Z,21Z)-tetracosaheptaenoyl-CoA}}
+
* HMDB : HMDB12209
−
{{#set: molecular weight=1100.019   }}
+
{{#set: smiles=CCOP(=O)([O-])OCC}}
−
{{#set: common name=(2E,6Z,9Z,12Z,15Z,18Z,21Z)-tetracosa-2,6,9,12,15,18,21-heptaenoyl-CoA}}
+
{{#set: inchi key=InChIKey=UCQFCFPECQILOL-UHFFFAOYSA-M}}
−
{{#set: consumed by=RXN-16135}}
+
{{#set: common name=diethylphosphate}}
−
{{#set: produced by=RXN-16134}}
+
{{#set: molecular weight=153.094   }}
 +
{{#set: common name=Diethylphosphoric acid|O,O-diethylphosphoric acid|phosphoric acid, diethyl ester|diethyl hydrogen phosphate|diethyl phosphoric acid}}
 +
{{#set: produced by=RXN-8746}}

Revision as of 13:42, 21 March 2018

Metabolite DIETHYLPHOSPHATE

  • smiles:
    • CCOP(=O)([O-])OCC
  • inchi key:
    • InChIKey=UCQFCFPECQILOL-UHFFFAOYSA-M
  • common name:
    • diethylphosphate
  • molecular weight:
    • 153.094
  • Synonym(s):
    • Diethylphosphoric acid
    • O,O-diethylphosphoric acid
    • phosphoric acid, diethyl ester
    • diethyl hydrogen phosphate
    • diethyl phosphoric acid

Reaction(s) known to consume the compound

Reaction(s) known to produce the compound

Reaction(s) of unknown directionality

External links

"CCOP(=O)([O-])OCC" cannot be used as a page name in this wiki.



Retrieved from "http://gem-aureme.irisa.fr/ectogem/index.php?title=RXN-14264&oldid=20940"