Difference between revisions of "CPD-13227"

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(Created page with "Category:Metabolite == Metabolite [http://metacyc.org/META/NEW-IMAGE?object=DITP DITP] == * smiles: ** C(OP(=O)([O-])OP(=O)([O-])OP(=O)([O-])[O-])C1(OC(CC(O)1)N3(C=NC2(C(=...")
 
(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...")
Line 1: Line 1:
 
[[Category:Metabolite]]
 
[[Category:Metabolite]]
−
== Metabolite [http://metacyc.org/META/NEW-IMAGE?object=DITP DITP] ==
+
== Metabolite [http://metacyc.org/META/NEW-IMAGE?object=CPD-13227 CPD-13227] ==
 
* smiles:
 
* smiles:
−
** C(OP(=O)([O-])OP(=O)([O-])OP(=O)([O-])[O-])C1(OC(CC(O)1)N3(C=NC2(C(=O)NC=NC=23)))
+
** 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:
 
* inchi key:
−
** InChIKey=UFJPAQSLHAGEBL-RRKCRQDMSA-J
+
** InChIKey=WZZVUHWLNMNWLW-MEWKLCDLSA-N
 
* common name:
 
* common name:
−
** dITP
+
** N,N',N''-triacetylchitotriose
 
* molecular weight:
 
* molecular weight:
−
** 488.137    
+
** 627.598    
 
* Synonym(s):
 
* Synonym(s):
−
** deoxyinosine triphosphate
+
** triacetylchitotriose
  
 
== Reaction(s) known to consume the compound ==
 
== Reaction(s) known to consume the compound ==
−
* [[RXN0-1602]]
 
 
== Reaction(s) known to produce the compound ==
 
== Reaction(s) known to produce the compound ==
 +
* [[RXN-12624]]
 +
* [[RXN-12623]]
 
== Reaction(s) of unknown directionality ==
 
== Reaction(s) of unknown directionality ==
−
* [[RXN-14228]]
 
 
== External links  ==
 
== External links  ==
−
* BIGG : ditp
 
 
* PUBCHEM:
 
* PUBCHEM:
−
** [http://pubchem.ncbi.nlm.nih.gov/summary/summary.cgi?cid=25203822 25203822]
+
** [http://pubchem.ncbi.nlm.nih.gov/summary/summary.cgi?cid=10930193 10930193]
−
* HMDB : HMDB03537
+
* CHEMSPIDER:
−
* LIGAND-CPD:
+
** [http://www.chemspider.com/Chemical-Structure.392429.html 392429]
−
** [http://www.genome.jp/dbget-bin/www_bget?C01345 C01345]
+
 
* CHEBI:
 
* CHEBI:
−
** [http://www.ebi.ac.uk/chebi/searchId.do?chebiId=61382 61382]
+
** [http://www.ebi.ac.uk/chebi/searchId.do?chebiId=71404 71404]
−
* METABOLIGHTS : MTBLC61382
+
{{#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=C(OP(=O)([O-])OP(=O)([O-])OP(=O)([O-])[O-])C1(OC(CC(O)1)N3(C=NC2(C(=O)NC=NC=23)))}}
+
{{#set: inchi key=InChIKey=WZZVUHWLNMNWLW-MEWKLCDLSA-N}}
−
{{#set: inchi key=InChIKey=UFJPAQSLHAGEBL-RRKCRQDMSA-J}}
+
{{#set: common name=N,N',N''-triacetylchitotriose}}
−
{{#set: common name=dITP}}
+
{{#set: molecular weight=627.598   }}
−
{{#set: molecular weight=488.137   }}
+
{{#set: common name=triacetylchitotriose}}
−
{{#set: common name=deoxyinosine triphosphate}}
+
{{#set: produced by=RXN-12624|RXN-12623}}
−
{{#set: consumed by=RXN0-1602}}
+
−
{{#set: consumed or produced by=RXN-14228}}
+

Revision as of 18:02, 23 May 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)))
  • inchi key:
    • InChIKey=WZZVUHWLNMNWLW-MEWKLCDLSA-N
  • common name:
    • N,N',N-triacetylchitotriose
  • 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/ccrgem/index.php?title=CPD-13227&oldid=18909"