Difference between revisions of "CPD-720"

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(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(...")
(Created page with "Category:Metabolite == Metabolite [http://metacyc.org/META/NEW-IMAGE?object=CPD-720 CPD-720] == * smiles: ** CC(C)C(C)C(O)C(O)C(C)[CH]3(CC[CH]4([CH]2(CC[CH]1(CC(O)CCC(C)1[...")
 
Line 1: Line 1:
 
[[Category:Metabolite]]
 
[[Category:Metabolite]]
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== Metabolite [http://metacyc.org/META/NEW-IMAGE?object=LIPID-IV-A LIPID-IV-A] ==
+
== Metabolite [http://metacyc.org/META/NEW-IMAGE?object=CPD-720 CPD-720] ==
 
* smiles:
 
* 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))
+
** CC(C)C(C)C(O)C(O)C(C)[CH]3(CC[CH]4([CH]2(CC[CH]1(CC(O)CCC(C)1[CH]2CCC(C)34))))
 
* common name:
 
* common name:
−
** lipid IVA
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** 6-deoxotyphasterol
 
* inchi key:
 
* inchi key:
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** InChIKey=KVJWZTLXIROHIL-QDORLFPLSA-J
+
** InChIKey=WPHVOXMMNSLJSF-DAWJDVIISA-N
 
* molecular weight:
 
* molecular weight:
−
** 1401.69    
+
** 434.701    
 
* Synonym(s):
 
* 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
+
** deoxotyphasterol
  
 
== Reaction(s) known to consume the compound ==
 
== Reaction(s) known to consume the compound ==
−
* [[KDOTRANS-RXN]]
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* [[RXN-4241]]
 
== Reaction(s) known to produce the compound ==
 
== Reaction(s) known to produce the compound ==
−
* [[TETRAACYLDISACC4KIN-RXN]]
 
 
== Reaction(s) of unknown directionality ==
 
== Reaction(s) of unknown directionality ==
 
== External links  ==
 
== External links  ==
 
* PUBCHEM:
 
* PUBCHEM:
−
** [http://pubchem.ncbi.nlm.nih.gov/summary/summary.cgi?cid=10329123 10329123]
+
** [http://pubchem.ncbi.nlm.nih.gov/summary/summary.cgi?cid=16061346 16061346]
−
* CHEMSPIDER:
+
−
** [http://www.chemspider.com/Chemical-Structure.8504584.html 8504584]
+
 
* CHEBI:
 
* CHEBI:
−
** [http://www.ebi.ac.uk/chebi/searchId.do?chebiId=58603 58603]
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** [http://www.ebi.ac.uk/chebi/searchId.do?chebiId=20717 20717]
−
* BIGG : lipidA
+
 
* LIGAND-CPD:
 
* LIGAND-CPD:
−
** [http://www.genome.jp/dbget-bin/www_bget?C04919 C04919]
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** [http://www.genome.jp/dbget-bin/www_bget?C15801 C15801]
−
{{#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))}}
+
{{#set: smiles=CC(C)C(C)C(O)C(O)C(C)[CH]3(CC[CH]4([CH]2(CC[CH]1(CC(O)CCC(C)1[CH]2CCC(C)34))))}}
−
{{#set: common name=lipid IVA}}
+
{{#set: common name=6-deoxotyphasterol}}
−
{{#set: inchi key=InChIKey=KVJWZTLXIROHIL-QDORLFPLSA-J}}
+
{{#set: inchi key=InChIKey=WPHVOXMMNSLJSF-DAWJDVIISA-N}}
−
{{#set: molecular weight=1401.69   }}
+
{{#set: molecular weight=434.701   }}
−
{{#set: common name=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}}
+
{{#set: common name=deoxotyphasterol}}
−
{{#set: consumed by=KDOTRANS-RXN}}
+
{{#set: consumed by=RXN-4241}}
−
{{#set: produced by=TETRAACYLDISACC4KIN-RXN}}
+

Latest revision as of 19:53, 21 March 2018

Metabolite CPD-720

  • smiles:
    • CC(C)C(C)C(O)C(O)C(C)[CH]3(CC[CH]4([CH]2(CC[CH]1(CC(O)CCC(C)1[CH]2CCC(C)34))))
  • common name:
    • 6-deoxotyphasterol
  • inchi key:
    • InChIKey=WPHVOXMMNSLJSF-DAWJDVIISA-N
  • molecular weight:
    • 434.701
  • Synonym(s):
    • deoxotyphasterol

Reaction(s) known to consume the compound

Reaction(s) known to produce the compound

Reaction(s) of unknown directionality

External links

"CC(C)C(C)C(O)C(O)C(C)[CH]3(CC[CH]4([CH]2(CC[CH]1(CC(O)CCC(C)1[CH]2CCC(C)34))))" cannot be used as a page name in this wiki.



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