Difference between revisions of "CPD-18353"

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(Created page with "Category:Metabolite == Metabolite [http://metacyc.org/META/NEW-IMAGE?object=3-HYDROXY-3-METHYL-GLUTARYL-COA 3-HYDROXY-3-METHYL-GLUTARYL-COA] == * smiles: ** CC(C)(C(O)C(=O...")
(Created page with "Category:Metabolite == Metabolite [http://metacyc.org/META/NEW-IMAGE?object=CPD-18353 CPD-18353] == * smiles: ** CCCCCCC=CCCCCCCCCCC(OCC(OC(=O)CCCCCCCCCC=CCCCCCC)COP([O-])...")
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[[Category:Metabolite]]
 
[[Category:Metabolite]]
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== Metabolite [http://metacyc.org/META/NEW-IMAGE?object=3-HYDROXY-3-METHYL-GLUTARYL-COA 3-HYDROXY-3-METHYL-GLUTARYL-COA] ==
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== Metabolite [http://metacyc.org/META/NEW-IMAGE?object=CPD-18353 CPD-18353] ==
 
* smiles:
 
* smiles:
−
** CC(C)(C(O)C(=O)NCCC(=O)NCCSC(=O)CC(C)(O)CC(=O)[O-])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-]
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** CCCCCCC=CCCCCCCCCCC(OCC(OC(=O)CCCCCCCCCC=CCCCCCC)COP([O-])(=O)[O-])=O
 
* inchi key:
 
* inchi key:
−
** InChIKey=CABVTRNMFUVUDM-VRHQGPGLSA-I
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** InChIKey=LMYYBYHAZAFVTR-YKEOXISKSA-L
 
* common name:
 
* common name:
−
** (S)-3-hydroxy-3-methylglutaryl-CoA
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** 1,2-dicis-vaccenoyl-phosphatidate
 
* molecular weight:
 
* molecular weight:
−
** 906.621    
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** 698.959    
 
* Synonym(s):
 
* Synonym(s):
−
** 3-hydroxy-3-methyl-glutaryl-CoA
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** 18:1-18:1-PA
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** HMG-CoA
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** 1,2-(11Z-octadecenoyl)-sn-glycerol-3-phosphate
−
** hydroxymethylglutaryl-CoA
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** 1,2-dicis-vaccenoyl phosphatidate
−
** 3-hydroxy-3-methylglutaryl-coenzyme A
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−
** 3-Hydroxy-3-methylglutaryl-CoA
+
  
 
== Reaction(s) known to consume the compound ==
 
== Reaction(s) known to consume the compound ==
−
* [[HYDROXYMETHYLGLUTARYL-COA-LYASE-RXN]]
 
 
== Reaction(s) known to produce the compound ==
 
== Reaction(s) known to produce the compound ==
 +
* [[RXN-17011]]
 +
* [[RXN-17015]]
 
== Reaction(s) of unknown directionality ==
 
== Reaction(s) of unknown directionality ==
−
* [[1.1.1.34-RXN]]
 
−
* [[HYDROXYMETHYLGLUTARYL-COA-REDUCTASE-RXN]]
 
−
* [[HYDROXYMETHYLGLUTARYL-COA-SYNTHASE-RXN]]
 
 
== External links  ==
 
== External links  ==
−
* CAS : 1553-55-5
 
 
* PUBCHEM:
 
* PUBCHEM:
−
** [http://pubchem.ncbi.nlm.nih.gov/summary/summary.cgi?cid=5288565 5288565]
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** [http://pubchem.ncbi.nlm.nih.gov/summary/summary.cgi?cid=102515215 102515215]
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* CHEBI:
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{{#set: smiles=CCCCCCC=CCCCCCCCCCC(OCC(OC(=O)CCCCCCCCCC=CCCCCCC)COP([O-])(=O)[O-])=O}}
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** [http://www.ebi.ac.uk/chebi/searchId.do?chebiId=43074 43074]
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{{#set: inchi key=InChIKey=LMYYBYHAZAFVTR-YKEOXISKSA-L}}
−
* LIGAND-CPD:
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{{#set: common name=1,2-dicis-vaccenoyl-phosphatidate}}
−
** [http://www.genome.jp/dbget-bin/www_bget?C00356 C00356]
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{{#set: molecular weight=698.959   }}
−
* HMDB : HMDB01375
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{{#set: common name=18:1-18:1-PA|1,2-(11Z-octadecenoyl)-sn-glycerol-3-phosphate|1,2-dicis-vaccenoyl phosphatidate}}
−
{{#set: smiles=CC(C)(C(O)C(=O)NCCC(=O)NCCSC(=O)CC(C)(O)CC(=O)[O-])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-]}}
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{{#set: produced by=RXN-17011|RXN-17015}}
−
{{#set: inchi key=InChIKey=CABVTRNMFUVUDM-VRHQGPGLSA-I}}
+
−
{{#set: common name=(S)-3-hydroxy-3-methylglutaryl-CoA}}
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−
{{#set: molecular weight=906.621   }}
+
−
{{#set: common name=3-hydroxy-3-methyl-glutaryl-CoA|HMG-CoA|hydroxymethylglutaryl-CoA|3-hydroxy-3-methylglutaryl-coenzyme A|3-Hydroxy-3-methylglutaryl-CoA}}
+
−
{{#set: consumed by=HYDROXYMETHYLGLUTARYL-COA-LYASE-RXN}}
+
−
{{#set: consumed or produced by=1.1.1.34-RXN|HYDROXYMETHYLGLUTARYL-COA-REDUCTASE-RXN|HYDROXYMETHYLGLUTARYL-COA-SYNTHASE-RXN}}
+

Revision as of 16:34, 23 May 2018

Metabolite CPD-18353

  • smiles:
    • CCCCCCC=CCCCCCCCCCC(OCC(OC(=O)CCCCCCCCCC=CCCCCCC)COP([O-])(=O)[O-])=O
  • inchi key:
    • InChIKey=LMYYBYHAZAFVTR-YKEOXISKSA-L
  • common name:
    • 1,2-dicis-vaccenoyl-phosphatidate
  • molecular weight:
    • 698.959
  • Synonym(s):
    • 18:1-18:1-PA
    • 1,2-(11Z-octadecenoyl)-sn-glycerol-3-phosphate
    • 1,2-dicis-vaccenoyl phosphatidate

Reaction(s) known to consume the compound

Reaction(s) known to produce the compound

Reaction(s) of unknown directionality

External links

"CCCCCCC=CCCCCCCCCCC(OCC(OC(=O)CCCCCCCCCC=CCCCCCC)COP([O-])(=O)[O-])=O" cannot be used as a page name in this wiki.



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