Difference between revisions of "CPD-13227"

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(Created page with "Category:Metabolite == Metabolite [http://metacyc.org/META/NEW-IMAGE?object=CPD-10244 CPD-10244] == * smiles: ** CCC=CCC=CCC=CCC=CCC=CCC=CCCC(=O)[O-] * inchi key: ** InChI...")
(Created page with "Category:Metabolite == Metabolite [http://metacyc.org/META/NEW-IMAGE?object=CPD-13227 CPD-13227] == * smiles: ** CC(=O)NC1(C(O)OC(CO)C(C(O)1)OC2(C(NC(C)=O)C(O)C(C(CO)O2)OC...")
 
(2 intermediate revisions by the same user not shown)
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[[Category:Metabolite]]
 
[[Category:Metabolite]]
−
== Metabolite [http://metacyc.org/META/NEW-IMAGE?object=CPD-10244 CPD-10244] ==
+
== Metabolite [http://metacyc.org/META/NEW-IMAGE?object=CPD-13227 CPD-13227] ==
 
* smiles:
 
* smiles:
−
** CCC=CCC=CCC=CCC=CCC=CCC=CCCC(=O)[O-]
+
** CC(=O)NC1(C(O)OC(CO)C(C(O)1)OC2(C(NC(C)=O)C(O)C(C(CO)O2)OC3(OC(C(O)C(O)C(NC(C)=O)3)CO)))
−
* inchi key:
+
−
** InChIKey=MBMBGCFOFBJSGT-KUBAVDMBSA-M
+
 
* common name:
 
* common name:
−
** docosahexaenoate
+
** N,N',N''-triacetylchitotriose
 +
* inchi key:
 +
** InChIKey=WZZVUHWLNMNWLW-MEWKLCDLSA-N
 
* molecular weight:
 
* molecular weight:
−
** 327.486    
+
** 627.598    
 
* Synonym(s):
 
* Synonym(s):
−
** docosahexaenoic acid
+
** triacetylchitotriose
−
** DHA
+
−
** all-cis-docosa-4,7,10,13,16,19-hexaenoate
+
−
** (4Z,7Z,10Z,13Z,16Z,19Z)-docosahexaenoate
+
−
** (4Z,7Z,10Z,13Z,16Z,19Z)-docosa-4,7,10,13,16,19-hexaenoate
+
  
 
== Reaction(s) known to consume the compound ==
 
== Reaction(s) known to consume the compound ==
 +
* [[RXN-12626]]
 
== Reaction(s) known to produce the compound ==
 
== Reaction(s) known to produce the compound ==
−
* [[RXN-16138]]
 
−
* [[RXN-16017]]
 
 
== Reaction(s) of unknown directionality ==
 
== Reaction(s) of unknown directionality ==
−
* [[RXN-16063]]
 
 
== External links  ==
 
== External links  ==
−
* LIPID_MAPS : LMFA01030185
 
 
* PUBCHEM:
 
* PUBCHEM:
−
** [http://pubchem.ncbi.nlm.nih.gov/summary/summary.cgi?cid=40486925 40486925]
+
** [http://pubchem.ncbi.nlm.nih.gov/summary/summary.cgi?cid=10930193 10930193]
−
* DRUGBANK : DB03756
+
* CHEMSPIDER:
 +
** [http://www.chemspider.com/Chemical-Structure.392429.html 392429]
 
* CHEBI:
 
* CHEBI:
−
** [http://www.ebi.ac.uk/chebi/searchId.do?chebiId=77016 77016]
+
** [http://www.ebi.ac.uk/chebi/searchId.do?chebiId=71404 71404]
−
* HMDB : HMDB02183
+
{{#set: smiles=CC(=O)NC1(C(O)OC(CO)C(C(O)1)OC2(C(NC(C)=O)C(O)C(C(CO)O2)OC3(OC(C(O)C(O)C(NC(C)=O)3)CO)))}}
−
{{#set: smiles=CCC=CCC=CCC=CCC=CCC=CCC=CCCC(=O)[O-]}}
+
{{#set: common name=N,N',N''-triacetylchitotriose}}
−
{{#set: inchi key=InChIKey=MBMBGCFOFBJSGT-KUBAVDMBSA-M}}
+
{{#set: inchi key=InChIKey=WZZVUHWLNMNWLW-MEWKLCDLSA-N}}
−
{{#set: common name=docosahexaenoate}}
+
{{#set: molecular weight=627.598   }}
−
{{#set: molecular weight=327.486   }}
+
{{#set: common name=triacetylchitotriose}}
−
{{#set: common name=docosahexaenoic acid|DHA|all-cis-docosa-4,7,10,13,16,19-hexaenoate|(4Z,7Z,10Z,13Z,16Z,19Z)-docosahexaenoate|(4Z,7Z,10Z,13Z,16Z,19Z)-docosa-4,7,10,13,16,19-hexaenoate}}
+
{{#set: consumed by=RXN-12626}}
−
{{#set: produced by=RXN-16138|RXN-16017}}
+
−
{{#set: consumed or produced by=RXN-16063}}
+

Latest revision as of 20:17, 21 March 2018

Metabolite CPD-13227

  • smiles:
    • CC(=O)NC1(C(O)OC(CO)C(C(O)1)OC2(C(NC(C)=O)C(O)C(C(CO)O2)OC3(OC(C(O)C(O)C(NC(C)=O)3)CO)))
  • common name:
    • N,N',N-triacetylchitotriose
  • inchi key:
    • InChIKey=WZZVUHWLNMNWLW-MEWKLCDLSA-N
  • molecular weight:
    • 627.598
  • Synonym(s):
    • triacetylchitotriose

Reaction(s) known to consume the compound

Reaction(s) known to produce the compound

Reaction(s) of unknown directionality

External links




Retrieved from "http://gem-aureme.irisa.fr/tisogem/index.php?title=CPD-13227&oldid=47540"