Difference between revisions of "CPD-313"

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(Created page with "Category:Metabolite == Metabolite [http://metacyc.org/META/NEW-IMAGE?object=CPD-15977 CPD-15977] == * smiles: ** CCCCCCCCC=CCCCCCCCC(=O)OCC(CO)OC(CCCCCCCC=CCCCCCCCC)=O * i...")
(Created page with "Category:Metabolite == Metabolite [http://metacyc.org/META/NEW-IMAGE?object=CPD-313 CPD-313] == * smiles: ** C(CC[N+])[N+] * common name: ** propane-1,3-diamine * inchi ke...")
 
(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=CPD-15977 CPD-15977] ==
+
== Metabolite [http://metacyc.org/META/NEW-IMAGE?object=CPD-313 CPD-313] ==
 
* smiles:
 
* smiles:
** CCCCCCCCC=CCCCCCCCC(=O)OCC(CO)OC(CCCCCCCC=CCCCCCCCC)=O
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** C(CC[N+])[N+]
* inchi key:
+
** InChIKey=AFSHUZFNMVJNKX-LLWMBOQKSA-N
+
 
* common name:
 
* common name:
** 1,2-dioleoylglycerol
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** propane-1,3-diamine
 +
* inchi key:
 +
** InChIKey=XFNJVJPLKCPIBV-UHFFFAOYSA-P
 
* molecular weight:
 
* molecular weight:
** 620.995    
+
** 76.141    
 
* Synonym(s):
 
* Synonym(s):
** dioleoyl-sn-glycerol
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** trimethylenediamine
** diolein
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** 1,3-propanediamine
** 1,2-dioleoyl-DL-glycerol
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** 1,3-diaminopropane
** 9-octadecenoic acid, 1-(hydroxymethyl)-1,2-ethanediyl ester, (9Z,9'Z)-
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** 1,3-DAP
** glycerol dioleate
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** 1,2-diolein
+
  
 
== Reaction(s) known to consume the compound ==
 
== Reaction(s) known to consume the compound ==
 +
* [[RXN-6381]]
 
== Reaction(s) known to produce the compound ==
 
== Reaction(s) known to produce the compound ==
* [[RXN-15090]]
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* [[RXN-13415]]
 
== Reaction(s) of unknown directionality ==
 
== Reaction(s) of unknown directionality ==
 
== External links  ==
 
== External links  ==
* LIPID_MAPS : LMGL02010049
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* CAS : 109-76-2
 
* PUBCHEM:
 
* PUBCHEM:
** [http://pubchem.ncbi.nlm.nih.gov/summary/summary.cgi?cid=9543716 9543716]
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** [http://pubchem.ncbi.nlm.nih.gov/summary/summary.cgi?cid=4030255 4030255]
 +
* HMDB : HMDB00002
 +
* LIGAND-CPD:
 +
** [http://www.genome.jp/dbget-bin/www_bget?C00986 C00986]
 
* CHEMSPIDER:
 
* CHEMSPIDER:
** [http://www.chemspider.com/Chemical-Structure.4593734.html 4593734]
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** [http://www.chemspider.com/Chemical-Structure.3247103.html 3247103]
 
* CHEBI:
 
* CHEBI:
** [http://www.ebi.ac.uk/chebi/searchId.do?chebiId=52333 52333]
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** [http://www.ebi.ac.uk/chebi/searchId.do?chebiId=57484 57484]
{{#set: smiles=CCCCCCCCC=CCCCCCCCC(=O)OCC(CO)OC(CCCCCCCC=CCCCCCCCC)=O}}
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* METABOLIGHTS : MTBLC57484
{{#set: inchi key=InChIKey=AFSHUZFNMVJNKX-LLWMBOQKSA-N}}
+
{{#set: smiles=C(CC[N+])[N+]}}
{{#set: common name=1,2-dioleoylglycerol}}
+
{{#set: common name=propane-1,3-diamine}}
{{#set: molecular weight=620.995   }}
+
{{#set: inchi key=InChIKey=XFNJVJPLKCPIBV-UHFFFAOYSA-P}}
{{#set: common name=dioleoyl-sn-glycerol|diolein|1,2-dioleoyl-DL-glycerol|9-octadecenoic acid, 1-(hydroxymethyl)-1,2-ethanediyl ester, (9Z,9'Z)-|glycerol dioleate|1,2-diolein}}
+
{{#set: molecular weight=76.141   }}
{{#set: produced by=RXN-15090}}
+
{{#set: common name=trimethylenediamine|1,3-propanediamine|1,3-diaminopropane|1,3-DAP}}
 +
{{#set: consumed by=RXN-6381}}
 +
{{#set: produced by=RXN-13415}}

Latest revision as of 19:19, 21 March 2018

Metabolite CPD-313

  • smiles:
    • C(CC[N+])[N+]
  • common name:
    • propane-1,3-diamine
  • inchi key:
    • InChIKey=XFNJVJPLKCPIBV-UHFFFAOYSA-P
  • molecular weight:
    • 76.141
  • Synonym(s):
    • trimethylenediamine
    • 1,3-propanediamine
    • 1,3-diaminopropane
    • 1,3-DAP

Reaction(s) known to consume the compound

Reaction(s) known to produce the compound

Reaction(s) of unknown directionality

External links

  • CAS : 109-76-2
  • PUBCHEM:
  • HMDB : HMDB00002
  • LIGAND-CPD:
  • CHEMSPIDER:
  • CHEBI:
  • METABOLIGHTS : MTBLC57484
"C(CC[N+])[N+" cannot be used as a page name in this wiki.