Difference between revisions of "OBTUSIFOLIOL"

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(Created page with "Category:Metabolite == Metabolite [http://metacyc.org/META/NEW-IMAGE?object=KDO2-LIPID-A KDO2-LIPID-A] == * smiles: ** CCCCCCCCCCCCCC(=O)OC(CCCCCCCCCCC)CC(=O)OC4(C(C(OCC1(...")
 
 
(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=KDO2-LIPID-A KDO2-LIPID-A] ==
+
== Metabolite [http://metacyc.org/META/NEW-IMAGE?object=OBTUSIFOLIOL OBTUSIFOLIOL] ==
 
* smiles:
 
* smiles:
−
** CCCCCCCCCCCCCC(=O)OC(CCCCCCCCCCC)CC(=O)OC4(C(C(OCC1(OC(OP([O-])([O-])=O)C(NC(CC(O)CCCCCCCCCCC)=O)C(OC(CC(O)CCCCCCCCCCC)=O)C(O)1))OC(COC3(C([O-])=O)(O[CH](C(CO)O)C(O)C(OC2(C([O-])=O)(O[CH](C(CO)O)C(O)C(O)C2))C3))C4OP([O-])([O-])=O)NC(CC(OC(CCCCCCCCCCC)=O)CCCCCCCCCCC)=O)
+
** CC(C)C(=C)CCC(C)[CH]3(CCC4(C)(C2(CC[CH]1(C(C)C(O)CCC(C)1C=2CCC(C)34))))
 +
* molecular weight:
 +
** 426.724   
 
* inchi key:
 
* inchi key:
−
** InChIKey=DIXUKJUHGLIZGU-PPLOIMQXSA-H
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** InChIKey=MMNYKQIDRZNIKT-VSADUBDNSA-N
 
* common name:
 
* common name:
−
** α-D-Kdo-(2→4)-α-D-Kdo-(2→6)-lipid A
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** obtusifoliol
−
* molecular weight:
+
−
** 2232.696   
+
 
* Synonym(s):
 
* Synonym(s):
−
** Re endotoxin
+
** 4α,14α-dimethyl-5α-ergosta-8,24(28)-dien-3β-ol
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** (Kdo)2-lipid A
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** 4α,14α-dimethyl-24-methylene-5α-cholesta-8-en-3β-ol
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** Kdo2-lipid A
+
  
 
== Reaction(s) known to consume the compound ==
 
== Reaction(s) known to consume the compound ==
 +
* [[1.14.13.70-RXN]]
 
== Reaction(s) known to produce the compound ==
 
== Reaction(s) known to produce the compound ==
−
* [[MYRISTOYLACYLTRAN-RXN]]
+
* [[CYCLOEUCALENOL-CYCLOISOMERASE-RXN]]
 
== Reaction(s) of unknown directionality ==
 
== Reaction(s) of unknown directionality ==
 
== External links  ==
 
== External links  ==
−
* PUBCHEM:
 
−
** [http://pubchem.ncbi.nlm.nih.gov/summary/summary.cgi?cid=91820278 91820278]
 
 
* CHEBI:
 
* CHEBI:
−
** [http://www.ebi.ac.uk/chebi/searchId.do?chebiId=58540 58540]
+
** [http://www.ebi.ac.uk/chebi/searchId.do?chebiId=17791 17791]
−
* BIGG : lipa
+
* PUBCHEM:
 +
** [http://pubchem.ncbi.nlm.nih.gov/summary/summary.cgi?cid=65252 65252]
 
* LIGAND-CPD:
 
* LIGAND-CPD:
−
** [http://www.genome.jp/dbget-bin/www_bget?C06026 C06026]
+
** [http://www.genome.jp/dbget-bin/www_bget?C01943 C01943]
−
{{#set: smiles=CCCCCCCCCCCCCC(=O)OC(CCCCCCCCCCC)CC(=O)OC4(C(C(OCC1(OC(OP([O-])([O-])=O)C(NC(CC(O)CCCCCCCCCCC)=O)C(OC(CC(O)CCCCCCCCCCC)=O)C(O)1))OC(COC3(C([O-])=O)(O[CH](C(CO)O)C(O)C(OC2(C([O-])=O)(O[CH](C(CO)O)C(O)C(O)C2))C3))C4OP([O-])([O-])=O)NC(CC(OC(CCCCCCCCCCC)=O)CCCCCCCCCCC)=O)}}
+
* HMDB : HMDB01242
−
{{#set: inchi key=InChIKey=DIXUKJUHGLIZGU-PPLOIMQXSA-H}}
+
{{#set: smiles=CC(C)C(=C)CCC(C)[CH]3(CCC4(C)(C2(CC[CH]1(C(C)C(O)CCC(C)1C=2CCC(C)34))))}}
−
{{#set: common name=α-D-Kdo-(2→4)-α-D-Kdo-(2→6)-lipid A}}
+
{{#set: molecular weight=426.724    }}
−
{{#set: molecular weight=2232.696    }}
+
{{#set: inchi key=InChIKey=MMNYKQIDRZNIKT-VSADUBDNSA-N}}
−
{{#set: common name=Re endotoxin|(Kdo)2-lipid A|Kdo2-lipid A}}
+
{{#set: common name=obtusifoliol}}
−
{{#set: produced by=MYRISTOYLACYLTRAN-RXN}}
+
{{#set: common name=4α,14α-dimethyl-5α-ergosta-8,24(28)-dien-3β-ol|4α,14α-dimethyl-24-methylene-5α-cholesta-8-en-3β-ol}}
 +
{{#set: consumed by=1.14.13.70-RXN}}
 +
{{#set: produced by=CYCLOEUCALENOL-CYCLOISOMERASE-RXN}}

Latest revision as of 17:52, 9 January 2019

Metabolite OBTUSIFOLIOL

  • smiles:
    • CC(C)C(=C)CCC(C)[CH]3(CCC4(C)(C2(CC[CH]1(C(C)C(O)CCC(C)1C=2CCC(C)34))))
  • molecular weight:
    • 426.724
  • inchi key:
    • InChIKey=MMNYKQIDRZNIKT-VSADUBDNSA-N
  • common name:
    • obtusifoliol
  • Synonym(s):
    • 4α,14α-dimethyl-5α-ergosta-8,24(28)-dien-3β-ol
    • 4α,14α-dimethyl-24-methylene-5α-cholesta-8-en-3β-ol

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)CCC(C)[CH]3(CCC4(C)(C2(CC[CH]1(C(C)C(O)CCC(C)1C=2CCC(C)34))))" cannot be used as a page name in this wiki.




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