Difference between revisions of "CPD-10277"

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(Created page with "Category:Reaction == Reaction [http://metacyc.org/META/NEW-IMAGE?object=RXN-9655 RXN-9655] == * direction: ** LEFT-TO-RIGHT * common name: ** polyketide_synthase * ec numb...")
(Created page with "Category:Metabolite == Metabolite [http://metacyc.org/META/NEW-IMAGE?object=CPD-10277 CPD-10277] == * smiles: ** CCC(OC1(OC(CO)C(O)C(O)C(O)1))(C#N)C * common name: ** lota...")
 
(One intermediate revision by the same user not shown)
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[[Category:Reaction]]
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[[Category:Metabolite]]
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== Reaction [http://metacyc.org/META/NEW-IMAGE?object=RXN-9655 RXN-9655] ==
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== Metabolite [http://metacyc.org/META/NEW-IMAGE?object=CPD-10277 CPD-10277] ==
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* direction:
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* smiles:
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** LEFT-TO-RIGHT
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** CCC(OC1(OC(CO)C(O)C(O)C(O)1))(C#N)C
 
* common name:
 
* common name:
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** polyketide_synthase
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** lotaustralin
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* ec number:
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* inchi key:
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** [http://enzyme.expasy.org/EC/2.3.1.86 EC-2.3.1.86]
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** InChIKey=WEWBWVMTOYUPHH-QHAQEBJBSA-N
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** [http://enzyme.expasy.org/EC/2.3.1.85 EC-2.3.1.85]
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* molecular weight:
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** [http://enzyme.expasy.org/EC/4.2.1.59 EC-4.2.1.59]
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** 261.274   
 
* Synonym(s):
 
* Synonym(s):
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** (3R)-3-hydroxydecanoyl-[acyl-carrier-protein] hydro-lyase
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** 2-hydroxy-2-methylbutyronitrile-beta-D-glucopyranoside
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** β-hydroxyacyl-ACP dehydrase
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** HDDase
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** β-hydroxyacyl-acyl carrier protein dehydratase
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** FabA
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** β-hydroxydecanoyl thiol ester dehydrase
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** β-hydroxydecanoate dehydrase
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** D-3-hydroxydecanoyl-[acyl-carrier protein] dehydratase
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== Reaction Formula ==
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== Reaction(s) known to consume the compound ==
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* With identifiers:
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* [[RXN-9674]]
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** 1 [[Beta-hydroxydecanoyl-ACPs]][c] '''=>''' 1 [[Trans-D2-decenoyl-ACPs]][c] '''+''' 1 [[WATER]][c]
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== Reaction(s) known to produce the compound ==
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* With common name(s):
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* [[RXN-13603]]
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** 1 a (3R)-3-hydroxydecanoyl-[acp][c] '''=>''' 1 a (2E)-dec-2-enoyl-[acp][c] '''+''' 1 H2O[c]
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== Reaction(s) of unknown directionality ==
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== Genes associated with this reaction  ==
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Genes have been associated with this reaction based on different elements listed below.
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* [[Tiso_gene_500]]
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** IN-SILICO_ANNOTATION
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***EC-NUMBER
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* [[Tiso_gene_13394]]
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** IN-SILICO_ANNOTATION
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***EC-NUMBER
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* [[Tiso_gene_10876]]
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** IN-SILICO_ANNOTATION
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***EC-NUMBER
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* [[Tiso_gene_136]]
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** IN-SILICO_ANNOTATION
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***EC-NUMBER
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* [[Tiso_gene_6884]]
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** EXPERIMENTAL_ANNOTATION
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***AUTOMATED-NAME-MATCH
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* [[Tiso_gene_135]]
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** IN-SILICO_ANNOTATION
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***EC-NUMBER
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== Pathways  ==
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* [[PWY-5971]], palmitate biosynthesis II (bacteria and plants): [http://metacyc.org/META/NEW-IMAGE?object=PWY-5971 PWY-5971]
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** '''31''' reactions found over '''31''' reactions in the full pathway
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* [[PWY-5994]], palmitate biosynthesis I (animals and fungi): [http://metacyc.org/META/NEW-IMAGE?object=PWY-5994 PWY-5994]
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** '''31''' reactions found over '''31''' reactions in the full pathway
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* [[PWY0-862]], (5Z)-dodec-5-enoate biosynthesis: [http://metacyc.org/META/NEW-IMAGE?object=PWY0-862 PWY0-862]
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** '''5''' reactions found over '''6''' reactions in the full pathway
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== Reconstruction information  ==
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* Category: [[manual]]
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** Source: [[manual-primary_network]]
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* Category: [[annotation]]
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** Source: [[annotation-experimental_annotation]]
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*** Tool: [[pathwaytools]]
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** Source: [[annotation-in-silico_annotation]]
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*** Tool: [[pathwaytools]]
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== External links  ==
 
== External links  ==
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{{#set: direction=LEFT-TO-RIGHT}}
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* PUBCHEM:
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{{#set: common name=polyketide_synthase}}
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** [http://pubchem.ncbi.nlm.nih.gov/summary/summary.cgi?cid=441467 441467]
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{{#set: ec number=EC-2.3.1.86}}
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* HMDB : HMDB33865
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{{#set: ec number=EC-2.3.1.85}}
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* CHEBI:
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{{#set: ec number=EC-4.2.1.59}}
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** [http://www.ebi.ac.uk/chebi/searchId.do?chebiId=6542 6542]
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{{#set: common name=(3R)-3-hydroxydecanoyl-[acyl-carrier-protein] hydro-lyase|β-hydroxyacyl-ACP dehydrase|HDDase|β-hydroxyacyl-acyl carrier protein dehydratase|FabA|β-hydroxydecanoyl thiol ester dehydrase|β-hydroxydecanoate dehydrase|D-3-hydroxydecanoyl-[acyl-carrier protein] dehydratase}}
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* LIGAND-CPD:
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{{#set: gene associated=Tiso_gene_500|Tiso_gene_13394|Tiso_gene_10876|Tiso_gene_136|Tiso_gene_6884|Tiso_gene_135}}
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** [http://www.genome.jp/dbget-bin/www_bget?C08334 C08334]
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{{#set: in pathway=PWY-5971|PWY-5994|PWY0-862}}
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{{#set: smiles=CCC(OC1(OC(CO)C(O)C(O)C(O)1))(C#N)C}}
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{{#set: reconstruction category=manual|annotation}}
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{{#set: common name=lotaustralin}}
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{{#set: reconstruction source=annotation-experimental_annotation|manual-primary_network|annotation-in-silico_annotation}}
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{{#set: inchi key=InChIKey=WEWBWVMTOYUPHH-QHAQEBJBSA-N}}
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{{#set: reconstruction tool=pathwaytools}}
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{{#set: molecular weight=261.274    }}
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{{#set: common name=2-hydroxy-2-methylbutyronitrile-beta-D-glucopyranoside}}
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{{#set: consumed by=RXN-9674}}
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{{#set: produced by=RXN-13603}}

Latest revision as of 19:49, 21 March 2018

Metabolite CPD-10277

  • smiles:
    • CCC(OC1(OC(CO)C(O)C(O)C(O)1))(C#N)C
  • common name:
    • lotaustralin
  • inchi key:
    • InChIKey=WEWBWVMTOYUPHH-QHAQEBJBSA-N
  • molecular weight:
    • 261.274
  • Synonym(s):
    • 2-hydroxy-2-methylbutyronitrile-beta-D-glucopyranoside

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-10277&oldid=43997"