Difference between revisions of "Ec-20 001020"

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(Created page with "Category:Metabolite == Metabolite [http://metacyc.org/META/NEW-IMAGE?object=COPROPORPHYRINOGEN_III COPROPORPHYRINOGEN_III] == * smiles: ** CC1(=C2(CC5(=C(C)C(CCC([O-])=O)=...")
 
(Created page with "Category:Metabolite == Metabolite [http://metacyc.org/META/NEW-IMAGE?object=DESMOSTEROL-CPD DESMOSTEROL-CPD] == * smiles: ** CC(C)=CCCC(C)[CH]1(CC[CH]2(C(C)1CC[CH]3([CH]2C...")
Line 1: Line 1:
 
[[Category:Metabolite]]
 
[[Category:Metabolite]]
== Metabolite [http://metacyc.org/META/NEW-IMAGE?object=COPROPORPHYRINOGEN_III COPROPORPHYRINOGEN_III] ==
+
== Metabolite [http://metacyc.org/META/NEW-IMAGE?object=DESMOSTEROL-CPD DESMOSTEROL-CPD] ==
 
* smiles:
 
* smiles:
** CC1(=C2(CC5(=C(C)C(CCC([O-])=O)=C(CC4(=C(CCC([O-])=O)C(C)=C(CC3(=C(CCC(=O)[O-])C(C)=C(CC(=C(CCC([O-])=O)1)N2)N3))N4))N5)))
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** CC(C)=CCCC(C)[CH]1(CC[CH]2(C(C)1CC[CH]3([CH]2CC=C4(C(C)3CCC(O)C4))))
 
* inchi key:
 
* inchi key:
** InChIKey=NIUVHXTXUXOFEB-UHFFFAOYSA-J
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** InChIKey=AVSXSVCZWQODGV-DPAQBDIFSA-N
 
* common name:
 
* common name:
** coproporphyrinogen III
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** desmosterol
 
* molecular weight:
 
* molecular weight:
** 656.734    
+
** 384.644    
 
* Synonym(s):
 
* Synonym(s):
 +
** 24-dehydrocholesterol
 +
** Δ5,24-cholestadien-3-β-ol
 +
** desmesterol
  
 
== Reaction(s) known to consume the compound ==
 
== Reaction(s) known to consume the compound ==
* [[RXN0-1461]]
 
* [[HEMN-RXN]]
 
 
== Reaction(s) known to produce the compound ==
 
== Reaction(s) known to produce the compound ==
* [[UROGENDECARBOX-RXN]]
+
* [[RXN66-27]]
 
== Reaction(s) of unknown directionality ==
 
== Reaction(s) of unknown directionality ==
 
== External links  ==
 
== External links  ==
* CAS : 2624-63-7
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* CAS : 313-04-2
* BIGG : 41515
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* LIPID_MAPS : LMST01010016
 
* PUBCHEM:
 
* PUBCHEM:
** [http://pubchem.ncbi.nlm.nih.gov/summary/summary.cgi?cid=20849114 20849114]
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** [http://pubchem.ncbi.nlm.nih.gov/summary/summary.cgi?cid=439577 439577]
* HMDB : HMDB01261
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* HMDB : HMDB02719
 
* LIGAND-CPD:
 
* LIGAND-CPD:
** [http://www.genome.jp/dbget-bin/www_bget?C03263 C03263]
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** [http://www.genome.jp/dbget-bin/www_bget?C01802 C01802]
 
* CHEMSPIDER:
 
* CHEMSPIDER:
** [http://www.chemspider.com/Chemical-Structure.20171552.html 20171552]
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** [http://www.chemspider.com/Chemical-Structure.388662.html 388662]
 
* CHEBI:
 
* CHEBI:
** [http://www.ebi.ac.uk/chebi/searchId.do?chebiId=57309 57309]
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** [http://www.ebi.ac.uk/chebi/searchId.do?chebiId=17737 17737]
* METABOLIGHTS : MTBLC57309
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* METABOLIGHTS : MTBLC17737
{{#set: smiles=CC1(=C2(CC5(=C(C)C(CCC([O-])=O)=C(CC4(=C(CCC([O-])=O)C(C)=C(CC3(=C(CCC(=O)[O-])C(C)=C(CC(=C(CCC([O-])=O)1)N2)N3))N4))N5)))}}
+
{{#set: smiles=CC(C)=CCCC(C)[CH]1(CC[CH]2(C(C)1CC[CH]3([CH]2CC=C4(C(C)3CCC(O)C4))))}}
{{#set: inchi key=InChIKey=NIUVHXTXUXOFEB-UHFFFAOYSA-J}}
+
{{#set: inchi key=InChIKey=AVSXSVCZWQODGV-DPAQBDIFSA-N}}
{{#set: common name=coproporphyrinogen III}}
+
{{#set: common name=desmosterol}}
{{#set: molecular weight=656.734   }}
+
{{#set: molecular weight=384.644   }}
{{#set: consumed by=RXN0-1461|HEMN-RXN}}
+
{{#set: common name=24-dehydrocholesterol|Δ5,24-cholestadien-3-β-ol|desmesterol}}
{{#set: produced by=UROGENDECARBOX-RXN}}
+
{{#set: produced by=RXN66-27}}

Revision as of 22:57, 17 March 2018

Metabolite DESMOSTEROL-CPD

  • smiles:
    • CC(C)=CCCC(C)[CH]1(CC[CH]2(C(C)1CC[CH]3([CH]2CC=C4(C(C)3CCC(O)C4))))
  • inchi key:
    • InChIKey=AVSXSVCZWQODGV-DPAQBDIFSA-N
  • common name:
    • desmosterol
  • molecular weight:
    • 384.644
  • Synonym(s):
    • 24-dehydrocholesterol
    • Δ5,24-cholestadien-3-β-ol
    • desmesterol

Reaction(s) known to consume the compound

Reaction(s) known to produce the compound

Reaction(s) of unknown directionality

External links

  • CAS : 313-04-2
  • LIPID_MAPS : LMST01010016
  • PUBCHEM:
  • HMDB : HMDB02719
  • LIGAND-CPD:
  • CHEMSPIDER:
  • CHEBI:
  • METABOLIGHTS : MTBLC17737
"CC(C)=CCCC(C)[CH]1(CC[CH]2(C(C)1CC[CH]3([CH]2CC=C4(C(C)3CCC(O)C4))))" cannot be used as a page name in this wiki.