Difference between revisions of "CPD-720"

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(Created page with "Category:Reaction == Reaction [http://metacyc.org/META/NEW-IMAGE?object=RR-BUTANEDIOL-DEHYDROGENASE-RXN RR-BUTANEDIOL-DEHYDROGENASE-RXN] == * direction: ** REVERSIBLE * ec...")
(Created page with "Category:Metabolite == Metabolite [http://metacyc.org/META/NEW-IMAGE?object=LIPID-IV-A LIPID-IV-A] == * smiles: ** CCCCCCCCCCCC(O)CC(=O)NC1(C(OP([O-])([O-])=O)OC(C(O)C(OC(...")
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[[Category:Reaction]]
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[[Category:Metabolite]]
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== Reaction [http://metacyc.org/META/NEW-IMAGE?object=RR-BUTANEDIOL-DEHYDROGENASE-RXN RR-BUTANEDIOL-DEHYDROGENASE-RXN] ==
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== Metabolite [http://metacyc.org/META/NEW-IMAGE?object=LIPID-IV-A LIPID-IV-A] ==
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* direction:
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* smiles:
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** REVERSIBLE
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** CCCCCCCCCCCC(O)CC(=O)NC1(C(OP([O-])([O-])=O)OC(C(O)C(OC(CC(O)CCCCCCCCCCC)=O)1)COC2(C(NC(CC(O)CCCCCCCCCCC)=O)C(OC(CC(O)CCCCCCCCCCC)=O)C(C(O2)CO)OP([O-])([O-])=O))
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* ec number:
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* common name:
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** [http://enzyme.expasy.org/EC/1.1.1.4 EC-1.1.1.4]
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** lipid IVA
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* inchi key:
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** InChIKey=KVJWZTLXIROHIL-QDORLFPLSA-J
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* molecular weight:
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** 1401.69   
 
* Synonym(s):
 
* Synonym(s):
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** 2-deoxy-2-{[(3R)-3-hydroxypentadecanoyl]amino}-3-O-[(3R)-3-hydroxytetradecanoyl]-4-O-phosphono-β-D-glucopyranosyl-(1->6)-2-deoxy-3-O-[(3R)-3-hydroxytetradecanoyl]-2-{[(3R)-3-hydroxytetradecanoyl]amino}-1-O-phosphono-α-D-glucopyranose
  
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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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* [[KDOTRANS-RXN]]
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** 1 [[BUTANEDIOL]][c] '''+''' 1 [[NAD]][c] '''<=>''' 1 [[NADH]][c] '''+''' 1 [[PROTON]][c] '''+''' 1 [[CPD-10353]][c]
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== Reaction(s) known to produce the compound ==
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* With common name(s):
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* [[TETRAACYLDISACC4KIN-RXN]]
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** 1 (R,R)-2,3-butanediol[c] '''+''' 1 NAD+[c] '''<=>''' 1 NADH[c] '''+''' 1 H+[c] '''+''' 1 (R)-acetoin[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_8778]]
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** [[pantograph]]-[[athaliana]]
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** [[pantograph]]-[[esiliculosus]]
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== Pathways  ==
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* [[PWY3O-246]], (R,R)-butanediol degradation: [http://metacyc.org/META/NEW-IMAGE?object=PWY3O-246 PWY3O-246]
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** '''1''' reactions found over '''1''' reactions in the full pathway
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* [[PWY-5951]], (R,R)-butanediol biosynthesis: [http://metacyc.org/META/NEW-IMAGE?object=PWY-5951 PWY-5951]
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** '''1''' reactions found over '''1''' reactions in the full pathway
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== Reconstruction information  ==
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* Category: [[orthology]]
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** Source: [[orthology-athaliana]]
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*** Tool: [[pantograph]]
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** Source: [[orthology-esiliculosus]]
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*** Tool: [[pantograph]]
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== External links  ==
 
== External links  ==
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* RHEA:
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* PUBCHEM:
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** [http://www.ebi.ac.uk/rhea/reaction.xhtml?id=24340 24340]
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** [http://pubchem.ncbi.nlm.nih.gov/summary/summary.cgi?cid=10329123 10329123]
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* LIGAND-RXN:
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* CHEMSPIDER:
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** [http://www.genome.jp/dbget-bin/www_bget?R02946 R02946]
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** [http://www.chemspider.com/Chemical-Structure.8504584.html 8504584]
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* UNIPROT:
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* CHEBI:
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** [http://www.uniprot.org/uniprot/Q9CH42 Q9CH42]
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** [http://www.ebi.ac.uk/chebi/searchId.do?chebiId=58603 58603]
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** [http://www.uniprot.org/uniprot/Q04520 Q04520]
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* BIGG : lipidA
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{{#set: direction=REVERSIBLE}}
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* LIGAND-CPD:
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{{#set: ec number=EC-1.1.1.4}}
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** [http://www.genome.jp/dbget-bin/www_bget?C04919 C04919]
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{{#set: gene associated=Tiso_gene_8778}}
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{{#set: smiles=CCCCCCCCCCCC(O)CC(=O)NC1(C(OP([O-])([O-])=O)OC(C(O)C(OC(CC(O)CCCCCCCCCCC)=O)1)COC2(C(NC(CC(O)CCCCCCCCCCC)=O)C(OC(CC(O)CCCCCCCCCCC)=O)C(C(O2)CO)OP([O-])([O-])=O))}}
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{{#set: in pathway=PWY3O-246|PWY-5951}}
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{{#set: common name=lipid IVA}}
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{{#set: reconstruction category=orthology}}
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{{#set: inchi key=InChIKey=KVJWZTLXIROHIL-QDORLFPLSA-J}}
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{{#set: reconstruction source=orthology-athaliana|orthology-esiliculosus}}
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{{#set: molecular weight=1401.69    }}
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{{#set: reconstruction tool=pantograph}}
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{{#set: common name=2-deoxy-2-{[(3R)-3-hydroxypentadecanoyl]amino}-3-O-[(3R)-3-hydroxytetradecanoyl]-4-O-phosphono-&beta;-D-glucopyranosyl-(1->6)-2-deoxy-3-O-[(3R)-3-hydroxytetradecanoyl]-2-{[(3R)-3-hydroxytetradecanoyl]amino}-1-O-phosphono-&alpha;-D-glucopyranose}}
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{{#set: consumed by=KDOTRANS-RXN}}
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{{#set: produced by=TETRAACYLDISACC4KIN-RXN}}

Revision as of 15:34, 21 March 2018

Metabolite LIPID-IV-A

  • smiles:
    • CCCCCCCCCCCC(O)CC(=O)NC1(C(OP([O-])([O-])=O)OC(C(O)C(OC(CC(O)CCCCCCCCCCC)=O)1)COC2(C(NC(CC(O)CCCCCCCCCCC)=O)C(OC(CC(O)CCCCCCCCCCC)=O)C(C(O2)CO)OP([O-])([O-])=O))
  • common name:
    • lipid IVA
  • inchi key:
    • InChIKey=KVJWZTLXIROHIL-QDORLFPLSA-J
  • molecular weight:
    • 1401.69
  • Synonym(s):
    • 2-deoxy-2-{[(3R)-3-hydroxypentadecanoyl]amino}-3-O-[(3R)-3-hydroxytetradecanoyl]-4-O-phosphono-β-D-glucopyranosyl-(1->6)-2-deoxy-3-O-[(3R)-3-hydroxytetradecanoyl]-2-{[(3R)-3-hydroxytetradecanoyl]amino}-1-O-phosphono-α-D-glucopyranose

Reaction(s) known to consume the compound

Reaction(s) known to produce the compound

Reaction(s) of unknown directionality

External links

"CCCCCCCCCCCC(O)CC(=O)NC1(C(OP([O-])([O-])=O)OC(C(O)C(OC(CC(O)CCCCCCCCCCC)=O)1)COC2(C(NC(CC(O)CCCCCCCCCCC)=O)C(OC(CC(O)CCCCCCCCCCC)=O)C(C(O2)CO)OP([O-])([O-])=O))" cannot be used as a page name in this wiki.


"2-deoxy-2-{[(3R)-3-hydroxypentadecanoyl]amino}-3-O-[(3R)-3-hydroxytetradecanoyl]-4-O-phosphono-&beta;-D-glucopyranosyl-(1->6)-2-deoxy-3-O-[(3R)-3-hydroxytetradecanoyl]-2-{[(3R)-3-hydroxytetradecanoyl]amino}-1-O-phosphono-&alpha;-D-glucopyranose" cannot be used as a page name in this wiki.


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