Difference between revisions of "OBTUSIFOLIOL"

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(Created page with "Category:Metabolite == Metabolite [http://metacyc.org/META/NEW-IMAGE?object=THREO-DS-ISO-CITRATE THREO-DS-ISO-CITRATE] == * smiles: ** C(=O)(C(CC([O-])=O)C(O)C([O-])=O)[O-...")
(Created page with "Category:Metabolite == Metabolite [http://metacyc.org/META/NEW-IMAGE?object=OBTUSIFOLIOL OBTUSIFOLIOL] == * smiles: ** CC(C)C(=C)CCC(C)[CH]3(CCC4(C)(C2(CC[CH]1(C(C)C(O)CCC...")
 
(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=THREO-DS-ISO-CITRATE THREO-DS-ISO-CITRATE] ==
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== Metabolite [http://metacyc.org/META/NEW-IMAGE?object=OBTUSIFOLIOL OBTUSIFOLIOL] ==
 
* smiles:
 
* smiles:
** C(=O)(C(CC([O-])=O)C(O)C([O-])=O)[O-]
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** CC(C)C(=C)CCC(C)[CH]3(CCC4(C)(C2(CC[CH]1(C(C)C(O)CCC(C)1C=2CCC(C)34))))
* inchi key:
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** InChIKey=ODBLHEXUDAPZAU-ZAFYKAAXSA-K
+
 
* common name:
 
* common name:
** D-threo-isocitrate
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** obtusifoliol
 +
* inchi key:
 +
** InChIKey=MMNYKQIDRZNIKT-VSADUBDNSA-N
 
* molecular weight:
 
* molecular weight:
** 189.101    
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** 426.724    
 
* Synonym(s):
 
* Synonym(s):
** D-threo-isocitrate
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** 4α,14α-dimethyl-5α-ergosta-8,24(28)-dien-3β-ol
** (1R, 2S)-1-hydroxypropane-1,2,3-tricarboxylate
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** 4α,14α-dimethyl-24-methylene-5α-cholesta-8-en-3β-ol
** D-threo-isocitric acid
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** isocitric acid
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** isocitrate
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** threo-Ds-isocitrate
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** I-CIT
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** D-isocitrate
+
  
 
== Reaction(s) known to consume the compound ==
 
== Reaction(s) known to consume the compound ==
 +
* [[OBFOOLor]]
 +
* [[1.14.13.70-RXN]]
 
== Reaction(s) known to produce the compound ==
 
== Reaction(s) known to produce the compound ==
 +
* [[CYCLOEUCALENOL-CYCLOISOMERASE-RXN]]
 
== Reaction(s) of unknown directionality ==
 
== Reaction(s) of unknown directionality ==
* [[ACONITATEHYDR-RXN]]
 
* [[ISOCITDEH-RXN]]
 
* [[RXN-14047]]
 
* [[ISOCIT-CLEAV-RXN]]
 
* [[RXN-9951]]
 
 
== External links  ==
 
== External links  ==
* CAS : 320-77-4
 
* CAS : 30810-51-6
 
* METABOLIGHTS : MTBLC15562
 
 
* PUBCHEM:
 
* PUBCHEM:
** [http://pubchem.ncbi.nlm.nih.gov/summary/summary.cgi?cid=5459771 5459771]
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** [http://pubchem.ncbi.nlm.nih.gov/summary/summary.cgi?cid=65252 65252]
* KNAPSACK : C00001188
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* HMDB : HMDB01242
* HMDB : HMDB01874
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* LIGAND-CPD:
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** [http://www.genome.jp/dbget-bin/www_bget?C00451 C00451]
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* CHEMSPIDER:
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** [http://www.chemspider.com/Chemical-Structure.4573553.html 4573553]
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* CHEBI:
 
* CHEBI:
** [http://www.ebi.ac.uk/chebi/searchId.do?chebiId=15562 15562]
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** [http://www.ebi.ac.uk/chebi/searchId.do?chebiId=17791 17791]
* BIGG : icit
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* LIGAND-CPD:
{{#set: smiles=C(=O)(C(CC([O-])=O)C(O)C([O-])=O)[O-]}}
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** [http://www.genome.jp/dbget-bin/www_bget?C01943 C01943]
{{#set: inchi key=InChIKey=ODBLHEXUDAPZAU-ZAFYKAAXSA-K}}
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{{#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=D-threo-isocitrate}}
+
{{#set: common name=obtusifoliol}}
{{#set: molecular weight=189.101   }}
+
{{#set: inchi key=InChIKey=MMNYKQIDRZNIKT-VSADUBDNSA-N}}
{{#set: common name=D-threo-isocitrate|(1R, 2S)-1-hydroxypropane-1,2,3-tricarboxylate|D-threo-isocitric acid|isocitric acid|isocitrate|threo-Ds-isocitrate|I-CIT|D-isocitrate}}
+
{{#set: molecular weight=426.724   }}
{{#set: reversible reaction associated=ACONITATEHYDR-RXN|ISOCITDEH-RXN|RXN-14047|ISOCIT-CLEAV-RXN|RXN-9951}}
+
{{#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=OBFOOLor|1.14.13.70-RXN}}
 +
{{#set: produced by=CYCLOEUCALENOL-CYCLOISOMERASE-RXN}}

Latest revision as of 21:13, 21 March 2018

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))))
  • common name:
    • obtusifoliol
  • inchi key:
    • InChIKey=MMNYKQIDRZNIKT-VSADUBDNSA-N
  • molecular weight:
    • 426.724
  • 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.