Difference between revisions of "LIPID-IV-A"

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(Created page with "Category:Metabolite == Metabolite [http://metacyc.org/META/NEW-IMAGE?object=INDOLE INDOLE] == * smiles: ** C2(C=CC1(=C(C=CN1)C=2)) * inchi key: ** InChIKey=SIKJAQJRHWYJAI-...")
(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(...")
 
(One intermediate revision by the same user not shown)
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[[Category:Metabolite]]
 
[[Category:Metabolite]]
== Metabolite [http://metacyc.org/META/NEW-IMAGE?object=INDOLE INDOLE] ==
+
== Metabolite [http://metacyc.org/META/NEW-IMAGE?object=LIPID-IV-A LIPID-IV-A] ==
 
* smiles:
 
* smiles:
** C2(C=CC1(=C(C=CN1)C=2))
+
** 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))
* inchi key:
+
** InChIKey=SIKJAQJRHWYJAI-UHFFFAOYSA-N
+
 
* common name:
 
* common name:
** indole
+
** lipid IVA
 +
* inchi key:
 +
** InChIKey=KVJWZTLXIROHIL-QDORLFPLSA-J
 
* molecular weight:
 
* molecular weight:
** 117.15    
+
** 1401.69    
 
* 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
  
 
== Reaction(s) known to consume the compound ==
 
== Reaction(s) known to consume the compound ==
* [[RXN0-2382]]
+
* [[KDOTRANS-RXN]]
 
== 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 ==
* [[RXN0-2381]]
 
 
== External links  ==
 
== External links  ==
* CAS : 120-72-9
 
* DRUGBANK : DB04532
 
 
* PUBCHEM:
 
* PUBCHEM:
** [http://pubchem.ncbi.nlm.nih.gov/summary/summary.cgi?cid=798 798]
+
** [http://pubchem.ncbi.nlm.nih.gov/summary/summary.cgi?cid=10329123 10329123]
* HMDB : HMDB00738
+
* LIGAND-CPD:
+
** [http://www.genome.jp/dbget-bin/www_bget?C00463 C00463]
+
 
* CHEMSPIDER:
 
* CHEMSPIDER:
** [http://www.chemspider.com/Chemical-Structure.776.html 776]
+
** [http://www.chemspider.com/Chemical-Structure.8504584.html 8504584]
 
* CHEBI:
 
* CHEBI:
** [http://www.ebi.ac.uk/chebi/searchId.do?chebiId=16881 16881]
+
** [http://www.ebi.ac.uk/chebi/searchId.do?chebiId=58603 58603]
* BIGG : indole
+
* BIGG : lipidA
{{#set: smiles=C2(C=CC1(=C(C=CN1)C=2))}}
+
* LIGAND-CPD:
{{#set: inchi key=InChIKey=SIKJAQJRHWYJAI-UHFFFAOYSA-N}}
+
** [http://www.genome.jp/dbget-bin/www_bget?C04919 C04919]
{{#set: common name=indole}}
+
{{#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: molecular weight=117.15    }}
+
{{#set: common name=lipid IVA}}
{{#set: consumed by=RXN0-2382}}
+
{{#set: inchi key=InChIKey=KVJWZTLXIROHIL-QDORLFPLSA-J}}
{{#set: reversible reaction associated=RXN0-2381}}
+
{{#set: molecular weight=1401.69    }}
 +
{{#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: consumed by=KDOTRANS-RXN}}
 +
{{#set: produced by=TETRAACYLDISACC4KIN-RXN}}

Latest revision as of 20:52, 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-β-D-glucopyranosyl-(1->6)-2-deoxy-3-O-[(3R)-3-hydroxytetradecanoyl]-2-{[(3R)-3-hydroxytetradecanoyl]amino}-1-O-phosphono-α-D-glucopyranose" cannot be used as a page name in this wiki.