Difference between revisions of "CPD-17271"

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(Created page with "Category:Metabolite == Metabolite [http://metacyc.org/META/NEW-IMAGE?object=HSCN HSCN] == * smiles: ** C(#N)[S-] * inchi key: ** InChIKey=ZMZDMBWJUHKJPS-UHFFFAOYSA-M * com...")
(Created page with "Category:Metabolite == Metabolite [http://metacyc.org/META/NEW-IMAGE?object=CPD-17271 CPD-17271] == * smiles: ** CCCCCCCCCCCCCCCCCC(OCC(OC(=O)CCCCCCCCCCCCCCC)CO)=O * inchi...")
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[[Category:Metabolite]]
 
[[Category:Metabolite]]
== Metabolite [http://metacyc.org/META/NEW-IMAGE?object=HSCN HSCN] ==
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== Metabolite [http://metacyc.org/META/NEW-IMAGE?object=CPD-17271 CPD-17271] ==
 
* smiles:
 
* smiles:
** C(#N)[S-]
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** CCCCCCCCCCCCCCCCCC(OCC(OC(=O)CCCCCCCCCCCCCCC)CO)=O
 
* inchi key:
 
* inchi key:
** InChIKey=ZMZDMBWJUHKJPS-UHFFFAOYSA-M
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** InChIKey=VYQDALBEQRZDPL-DHUJRADRSA-N
 
* common name:
 
* common name:
** thiocyanate
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** 1-stearoyl-2-palmitoyl-glycerol
 
* molecular weight:
 
* molecular weight:
** 58.078    
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** 596.973    
 
* Synonym(s):
 
* Synonym(s):
** thiocyanic acid
 
** rhodanide
 
  
 
== Reaction(s) known to consume the compound ==
 
== Reaction(s) known to consume the compound ==
 +
* [[RXN-1602-CPD-17271/WATER//CPD66-43/STEARIC_ACID/PROTON.46.]]
 
== Reaction(s) known to produce the compound ==
 
== Reaction(s) known to produce the compound ==
* [[MERCAPYSTRANS-RXN]]
 
 
== Reaction(s) of unknown directionality ==
 
== Reaction(s) of unknown directionality ==
* [[RXN-18232]]
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* [[RXN-16030]]
 
== External links  ==
 
== External links  ==
* CAS : 463-56-9
 
* METABOLIGHTS : MTBLC18022
 
 
* PUBCHEM:
 
* PUBCHEM:
** [http://pubchem.ncbi.nlm.nih.gov/summary/summary.cgi?cid=9322 9322]
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** [http://pubchem.ncbi.nlm.nih.gov/summary/summary.cgi?cid=3246945 3246945]
* HMDB : HMDB01453
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{{#set: smiles=CCCCCCCCCCCCCCCCCC(OCC(OC(=O)CCCCCCCCCCCCCCC)CO)=O}}
* LIGAND-CPD:
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{{#set: inchi key=InChIKey=VYQDALBEQRZDPL-DHUJRADRSA-N}}
** [http://www.genome.jp/dbget-bin/www_bget?C01755 C01755]
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{{#set: common name=1-stearoyl-2-palmitoyl-glycerol}}
* CHEMSPIDER:
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{{#set: molecular weight=596.973   }}
** [http://www.chemspider.com/Chemical-Structure.8961.html 8961]
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{{#set: consumed by=RXN-1602-CPD-17271/WATER//CPD66-43/STEARIC_ACID/PROTON.46.}}
* CHEBI:
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{{#set: reversible reaction associated=RXN-16030}}
** [http://www.ebi.ac.uk/chebi/searchId.do?chebiId=18022 18022]
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* BIGG : tcynt
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{{#set: smiles=C(#N)[S-]}}
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{{#set: inchi key=InChIKey=ZMZDMBWJUHKJPS-UHFFFAOYSA-M}}
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{{#set: common name=thiocyanate}}
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{{#set: molecular weight=58.078   }}
+
{{#set: common name=thiocyanic acid|rhodanide}}
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{{#set: produced by=MERCAPYSTRANS-RXN}}
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{{#set: consumed or produced by=RXN-18232}}
+

Revision as of 15:07, 23 May 2018

Metabolite CPD-17271

  • smiles:
    • CCCCCCCCCCCCCCCCCC(OCC(OC(=O)CCCCCCCCCCCCCCC)CO)=O
  • inchi key:
    • InChIKey=VYQDALBEQRZDPL-DHUJRADRSA-N
  • common name:
    • 1-stearoyl-2-palmitoyl-glycerol
  • molecular weight:
    • 596.973
  • Synonym(s):

Reaction(s) known to consume the compound

Reaction(s) known to produce the compound

Reaction(s) of unknown directionality

External links