Difference between revisions of "CPD-634"

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(Created page with "Category:Metabolite == Metabolite [http://metacyc.org/META/NEW-IMAGE?object=CPD-13524 CPD-13524] == * smiles: ** CC(=CC=CC(C)=CCO)C=CC1(=C(C)CCCC(C)(C)1) * inchi key: ** I...")
(Created page with "Category:Metabolite == Metabolite [http://metacyc.org/META/NEW-IMAGE?object=CPD-634 CPD-634] == * smiles: ** CC(C)C(C)C(O)C(O)C(C)[CH]3(CC[CH]4([CH]2(CC(=O)[CH]1(CC(O)C(O)...")
 
(2 intermediate revisions by the same user not shown)
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[[Category:Metabolite]]
 
[[Category:Metabolite]]
−
== Metabolite [http://metacyc.org/META/NEW-IMAGE?object=CPD-13524 CPD-13524] ==
+
== Metabolite [http://metacyc.org/META/NEW-IMAGE?object=CPD-634 CPD-634] ==
 
* smiles:
 
* smiles:
−
** CC(=CC=CC(C)=CCO)C=CC1(=C(C)CCCC(C)(C)1)
+
** CC(C)C(C)C(O)C(O)C(C)[CH]3(CC[CH]4([CH]2(CC(=O)[CH]1(CC(O)C(O)CC(C)1[CH]2CCC(C)34))))
−
* inchi key:
+
−
** InChIKey=FPIPGXGPPPQFEQ-OVSJKPMPSA-N
+
 
* common name:
 
* common name:
−
** all-trans-retinol
+
** castasterone
 +
* inchi key:
 +
** InChIKey=VYUIKSFYFRVQLF-YLNAYWRASA-N
 
* molecular weight:
 
* molecular weight:
−
** 286.456    
+
** 464.684    
 
* Synonym(s):
 
* Synonym(s):
−
** trans-retinol
 
−
** retinol
 
−
** vitamin A
 
−
** vitamin A1
 
  
 
== Reaction(s) known to consume the compound ==
 
== Reaction(s) known to consume the compound ==
−
* [[1.3.99.23-RXN]]
 
−
* [[RXN-12547]]
 
 
== Reaction(s) known to produce the compound ==
 
== Reaction(s) known to produce the compound ==
−
* [[RXN-12575]]
+
* [[RXN-779]]
−
* [[3.1.1.64-RXN]]
+
−
* [[RXN-12579]]
+
 
== Reaction(s) of unknown directionality ==
 
== Reaction(s) of unknown directionality ==
−
* [[RETINOL-DEHYDROGENASE-RXN]]
 
 
== External links  ==
 
== External links  ==
−
* DRUGBANK : DB00162
 
−
* CAS : 68-26-8
 
−
* CAS : 11103-57-4
 
−
* Wikipedia : Retinol
 
−
* LIPID_MAPS : LMPR01090001
 
 
* PUBCHEM:
 
* PUBCHEM:
−
** [http://pubchem.ncbi.nlm.nih.gov/summary/summary.cgi?cid=445354 445354]
+
** [http://pubchem.ncbi.nlm.nih.gov/summary/summary.cgi?cid=133534 133534]
−
* HMDB : HMDB00305
+
−
* LIGAND-CPD:
+
−
** [http://www.genome.jp/dbget-bin/www_bget?C00473 C00473]
+
−
* CHEMSPIDER:
+
−
** [http://www.chemspider.com/Chemical-Structure.393012.html 393012]
+
 
* CHEBI:
 
* CHEBI:
−
** [http://www.ebi.ac.uk/chebi/searchId.do?chebiId=17336 17336]
+
** [http://www.ebi.ac.uk/chebi/searchId.do?chebiId=23051 23051]
−
* METABOLIGHTS : MTBLC17336
+
* LIGAND-CPD:
−
{{#set: smiles=CC(=CC=CC(C)=CCO)C=CC1(=C(C)CCCC(C)(C)1)}}
+
** [http://www.genome.jp/dbget-bin/www_bget?C15794 C15794]
−
{{#set: inchi key=InChIKey=FPIPGXGPPPQFEQ-OVSJKPMPSA-N}}
+
{{#set: smiles=CC(C)C(C)C(O)C(O)C(C)[CH]3(CC[CH]4([CH]2(CC(=O)[CH]1(CC(O)C(O)CC(C)1[CH]2CCC(C)34))))}}
−
{{#set: common name=all-trans-retinol}}
+
{{#set: common name=castasterone}}
−
{{#set: molecular weight=286.456   }}
+
{{#set: inchi key=InChIKey=VYUIKSFYFRVQLF-YLNAYWRASA-N}}
−
{{#set: common name=trans-retinol|retinol|vitamin A|vitamin A1}}
+
{{#set: molecular weight=464.684   }}
−
{{#set: consumed by=1.3.99.23-RXN|RXN-12547}}
+
{{#set: produced by=RXN-779}}
−
{{#set: produced by=RXN-12575|3.1.1.64-RXN|RXN-12579}}
+
−
{{#set: consumed or produced by=RETINOL-DEHYDROGENASE-RXN}}
+

Latest revision as of 19:15, 21 March 2018

Metabolite CPD-634

  • smiles:
    • CC(C)C(C)C(O)C(O)C(C)[CH]3(CC[CH]4([CH]2(CC(=O)[CH]1(CC(O)C(O)CC(C)1[CH]2CCC(C)34))))
  • common name:
    • castasterone
  • inchi key:
    • InChIKey=VYUIKSFYFRVQLF-YLNAYWRASA-N
  • molecular weight:
    • 464.684
  • Synonym(s):

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



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