Difference between revisions of "3.5.1.52-RXN"

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(Created page with "Category:Metabolite == Metabolite [http://metacyc.org/META/NEW-IMAGE?object=CPD-10262 CPD-10262] == * smiles: ** CCCCCCCCCCCCCCCC=CC(=O)SCCNC(=O)CCNC(C(O)C(C)(C)COP([O-])(...")
(Created page with "Category:Metabolite == Metabolite [http://metacyc.org/META/NEW-IMAGE?object=CPD-7830 CPD-7830] == * smiles: ** CCCCCCCCCCCCCCCCC([O-])=O * inchi key: ** InChIKey=KEMQGTRYU...")
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[[Category:Metabolite]]
 
[[Category:Metabolite]]
−
== Metabolite [http://metacyc.org/META/NEW-IMAGE?object=CPD-10262 CPD-10262] ==
+
== Metabolite [http://metacyc.org/META/NEW-IMAGE?object=CPD-7830 CPD-7830] ==
 
* smiles:
 
* smiles:
−
** CCCCCCCCCCCCCCCC=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
+
** CCCCCCCCCCCCCCCCC([O-])=O
 
* inchi key:
 
* inchi key:
−
** InChIKey=NBCCUIHOHUKBMK-ZDDAFBBHSA-J
+
** InChIKey=KEMQGTRYUADPNZ-UHFFFAOYSA-M
 
* common name:
 
* common name:
−
** trans-octadec-2-enoyl-CoA
+
** heptadecanoate
 
* molecular weight:
 
* molecular weight:
−
** 1027.953    
+
** 269.446    
 
* Synonym(s):
 
* Synonym(s):
−
** trans-2,3-dihydro-stearenoyl-CoA
+
** margaric acid
−
** (2E)-octadecenoyl-CoA
+
** margarate
 +
** heptadecanoic acid
  
 
== 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 ==
−
* [[ECOAH8]]
+
* [[RXN66-476-CPD-14719/NAD/WATER//CPD-7830/NADH/PROTON.42.]]
 
== Reaction(s) of unknown directionality ==
 
== Reaction(s) of unknown directionality ==
 
== External links  ==
 
== External links  ==
−
* LIGAND-CPD:
 
−
** [http://www.genome.jp/dbget-bin/www_bget?C16218 C16218]
 
 
* CHEBI:
 
* CHEBI:
−
** [http://www.ebi.ac.uk/chebi/searchId.do?chebiId=71412 71412]
+
** [http://www.ebi.ac.uk/chebi/searchId.do?chebiId=32366 32366]
−
* BIGG : od2coa
+
* CHEMSPIDER:
 +
** [http://www.chemspider.com/Chemical-Structure.3327058.html 3327058]
 +
* Wikipedia : Heptadecanoic_acid
 +
* METABOLIGHTS : MTBLC32366
 
* PUBCHEM:
 
* PUBCHEM:
−
** [http://pubchem.ncbi.nlm.nih.gov/summary/summary.cgi?cid=25244344 25244344]
+
** [http://pubchem.ncbi.nlm.nih.gov/summary/summary.cgi?cid=4113470 4113470]
−
* HMDB : HMDB06529
+
{{#set: smiles=CCCCCCCCCCCCCCCCC([O-])=O}}
−
{{#set: smiles=CCCCCCCCCCCCCCCC=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: inchi key=InChIKey=KEMQGTRYUADPNZ-UHFFFAOYSA-M}}
−
{{#set: inchi key=InChIKey=NBCCUIHOHUKBMK-ZDDAFBBHSA-J}}
+
{{#set: common name=heptadecanoate}}
−
{{#set: common name=trans-octadec-2-enoyl-CoA}}
+
{{#set: molecular weight=269.446   }}
−
{{#set: molecular weight=1027.953   }}
+
{{#set: common name=margaric acid|margarate|heptadecanoic acid}}
−
{{#set: common name=trans-2,3-dihydro-stearenoyl-CoA|(2E)-octadecenoyl-CoA}}
+
{{#set: produced by=RXN66-476-CPD-14719/NAD/WATER//CPD-7830/NADH/PROTON.42.}}
−
{{#set: produced by=ECOAH8}}
+

Revision as of 15:51, 21 March 2018

Metabolite CPD-7830

  • smiles:
    • CCCCCCCCCCCCCCCCC([O-])=O
  • inchi key:
    • InChIKey=KEMQGTRYUADPNZ-UHFFFAOYSA-M
  • common name:
    • heptadecanoate
  • molecular weight:
    • 269.446
  • Synonym(s):
    • margaric acid
    • margarate
    • heptadecanoic acid

Reaction(s) known to consume the compound

Reaction(s) known to produce the compound

Reaction(s) of unknown directionality

External links

  • CHEBI:
  • CHEMSPIDER:
  • Wikipedia : Heptadecanoic_acid
  • METABOLIGHTS : MTBLC32366
  • PUBCHEM:
"CCCCCCCCCCCCCCCCC([O-])=O" cannot be used as a page name in this wiki.



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