Difference between revisions of "44-DIMETHYL-CHOLESTA-812-24-TRIENOL"

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(Created page with "Category:Metabolite == Metabolite [http://metacyc.org/META/NEW-IMAGE?object=CPD-11519 CPD-11519] == * smiles: ** CCC=CCC4(C(=O)CCC(CCCCCC(O)CC(SCCNC(=O)CCNC(=O)C(O)C(C)(C)...")
(Created page with "Category:Metabolite == Metabolite [http://metacyc.org/META/NEW-IMAGE?object=44-DIMETHYL-CHOLESTA-812-24-TRIENOL 44-DIMETHYL-CHOLESTA-812-24-TRIENOL] == * smiles: ** CC(C)=...")
 
(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-11519 CPD-11519] ==
+
== Metabolite [http://metacyc.org/META/NEW-IMAGE?object=44-DIMETHYL-CHOLESTA-812-24-TRIENOL 44-DIMETHYL-CHOLESTA-812-24-TRIENOL] ==
 
* smiles:
 
* smiles:
−
** CCC=CCC4(C(=O)CCC(CCCCCC(O)CC(SCCNC(=O)CCNC(=O)C(O)C(C)(C)COP(=O)(OP(=O)(OCC1(C(OP([O-])(=O)[O-])C(O)C(O1)N3(C2(=C(C(N)=NC=N2)N=C3))))[O-])[O-])=O)4)
+
** CC(C)=CCCC([CH]1(C2(C)(C(=CC1)C4(=C(CC2)C3([CH](C(C)(C)C(O)CC3)CC4)(C)))))C
−
* inchi key:
+
−
** InChIKey=PDDHCVXPABQISO-PEUIIYGWSA-J
+
 
* common name:
 
* common name:
−
** OPC8-3-hydroxyacyl-CoA
+
** 4,4-dimethyl-cholesta-8,12,24-trienol
 +
* inchi key:
 +
** InChIKey=LFQXEZVYNCBVDO-PBJLWWPKSA-N
 
* molecular weight:
 
* molecular weight:
−
** 1055.92    
+
** 410.682    
 
* Synonym(s):
 
* Synonym(s):
−
** 3-oxo-2-(cis-2'-pentenyl)-cyclopentane-1-octa-3-hydroxy-2-enoyl-CoA
+
** 17-(1,5-dimethylhex-4-enyl)-4,4,10,13-tetramethyl-2,3,4,5,6,7, 10,11,12,13,16,17-dodecahydro-1H-cyclopenta[a]phenanthren-3-ol
 +
** 4,4-dimethyl-5α-cholesta-8,14,24-trien-3β-ol
 +
** 4,4-dimethyl-5-α-cholesta-8,14,24-trien-3-β-ol
  
 
== Reaction(s) known to consume the compound ==
 
== Reaction(s) known to consume the compound ==
−
* [[RXN-10698]]
+
* [[RXN66-306]]
 
== Reaction(s) known to produce the compound ==
 
== Reaction(s) known to produce the compound ==
−
* [[RXN-10697]]
+
* [[RXN3O-130]]
 +
* [[RXN66-305]]
 
== Reaction(s) of unknown directionality ==
 
== Reaction(s) of unknown directionality ==
 
== External links  ==
 
== External links  ==
 
* PUBCHEM:
 
* PUBCHEM:
−
** [http://pubchem.ncbi.nlm.nih.gov/summary/summary.cgi?cid=44237307 44237307]
+
** [http://pubchem.ncbi.nlm.nih.gov/summary/summary.cgi?cid=443212 443212]
−
{{#set: smiles=CCC=CCC4(C(=O)CCC(CCCCCC(O)CC(SCCNC(=O)CCNC(=O)C(O)C(C)(C)COP(=O)(OP(=O)(OCC1(C(OP([O-])(=O)[O-])C(O)C(O1)N3(C2(=C(C(N)=NC=N2)N=C3))))[O-])[O-])=O)4)}}
+
* HMDB : HMDB01023
−
{{#set: inchi key=InChIKey=PDDHCVXPABQISO-PEUIIYGWSA-J}}
+
* CHEBI:
−
{{#set: common name=OPC8-3-hydroxyacyl-CoA}}
+
** [http://www.ebi.ac.uk/chebi/searchId.do?chebiId=17813 17813]
−
{{#set: molecular weight=1055.92   }}
+
* LIGAND-CPD:
−
{{#set: common name=3-oxo-2-(cis-2'-pentenyl)-cyclopentane-1-octa-3-hydroxy-2-enoyl-CoA}}
+
** [http://www.genome.jp/dbget-bin/www_bget?C11455 C11455]
−
{{#set: consumed by=RXN-10698}}
+
{{#set: smiles=CC(C)=CCCC([CH]1(C2(C)(C(=CC1)C4(=C(CC2)C3([CH](C(C)(C)C(O)CC3)CC4)(C)))))C}}
−
{{#set: produced by=RXN-10697}}
+
{{#set: common name=4,4-dimethyl-cholesta-8,12,24-trienol}}
 +
{{#set: inchi key=InChIKey=LFQXEZVYNCBVDO-PBJLWWPKSA-N}}
 +
{{#set: molecular weight=410.682   }}
 +
{{#set: common name=17-(1,5-dimethylhex-4-enyl)-4,4,10,13-tetramethyl-2,3,4,5,6,7, 10,11,12,13,16,17-dodecahydro-1H-cyclopenta[a]phenanthren-3-ol|4,4-dimethyl-5α-cholesta-8,14,24-trien-3β-ol|4,4-dimethyl-5-α-cholesta-8,14,24-trien-3-β-ol}}
 +
{{#set: consumed by=RXN66-306}}
 +
{{#set: produced by=RXN3O-130|RXN66-305}}

Latest revision as of 19:34, 21 March 2018

Metabolite 44-DIMETHYL-CHOLESTA-812-24-TRIENOL

  • smiles:
    • CC(C)=CCCC([CH]1(C2(C)(C(=CC1)C4(=C(CC2)C3([CH](C(C)(C)C(O)CC3)CC4)(C)))))C
  • common name:
    • 4,4-dimethyl-cholesta-8,12,24-trienol
  • inchi key:
    • InChIKey=LFQXEZVYNCBVDO-PBJLWWPKSA-N
  • molecular weight:
    • 410.682
  • Synonym(s):
    • 17-(1,5-dimethylhex-4-enyl)-4,4,10,13-tetramethyl-2,3,4,5,6,7, 10,11,12,13,16,17-dodecahydro-1H-cyclopenta[a]phenanthren-3-ol
    • 4,4-dimethyl-5α-cholesta-8,14,24-trien-3β-ol
    • 4,4-dimethyl-5-α-cholesta-8,14,24-trien-3-β-ol

Reaction(s) known to consume the compound

Reaction(s) known to produce the compound

Reaction(s) of unknown directionality

External links

"CC(C)=CCCC([CH]1(C2(C)(C(=CC1)C4(=C(CC2)C3([CH](C(C)(C)C(O)CC3)CC4)(C)))))C" cannot be used as a page name in this wiki.


"17-(1,5-dimethylhex-4-enyl)-4,4,10,13-tetramethyl-2,3,4,5,6,7, 10,11,12,13,16,17-dodecahydro-1H-cyclopenta[a]phenanthren-3-ol" cannot be used as a page name in this wiki.


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