Difference between revisions of "CPD-8611"

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(Created page with "Category:Metabolite == Metabolite [http://metacyc.org/META/NEW-IMAGE?object=STEARIC_ACID STEARIC_ACID] == * smiles: ** CCCCCCCCCCCCCCCCCC(=O)[O-] * inchi key: ** InChIKey=...")
 
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[[Category:Metabolite]]
 
[[Category:Metabolite]]
−
== Metabolite [http://metacyc.org/META/NEW-IMAGE?object=STEARIC_ACID STEARIC_ACID] ==
+
== Metabolite [http://metacyc.org/META/NEW-IMAGE?object=CPD-8611 CPD-8611] ==
 
* smiles:
 
* smiles:
−
** CCCCCCCCCCCCCCCCCC(=O)[O-]
+
** CC(C)CCCC([CH]4(C1(C)([CH](C2(=C(CC1)C3(C)([CH](CC2)C(C)(CO)C(O)CC3)))CC4)))C
 +
* molecular weight:
 +
** 430.713   
 
* inchi key:
 
* inchi key:
−
** InChIKey=QIQXTHQIDYTFRH-UHFFFAOYSA-M
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** InChIKey=UVSRXDFMOZKKGE-WKYRUEGDSA-N
 
* common name:
 
* common name:
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** stearate
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** 4α-hydroxymethyl-4β-methyl-5α-cholesta-8-en-3β-ol
−
* molecular weight:
+
−
** 283.473   
+
 
* Synonym(s):
 
* Synonym(s):
−
** octadecanoate (n-C18:0)
 
−
** stearic acid
 
−
** octadecanoic acid
 
  
 
== Reaction(s) known to consume the compound ==
 
== Reaction(s) known to consume the compound ==
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* [[RXN-11820-STEARIC_ACID/HYDROGEN-PEROXIDE//R-2-HYDROXYSTEARATE/WATER.58.]]
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* [[RXN66-16]]
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* [[RXN-16380]]
+
 
== Reaction(s) known to produce the compound ==
 
== Reaction(s) known to produce the compound ==
−
* [[RXN-1602-CPD-17271/WATER//CPD66-43/STEARIC_ACID/PROTON.46.]]
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* [[RXN66-15]]
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* [[RXN-9548]]
+
 
== Reaction(s) of unknown directionality ==
 
== Reaction(s) of unknown directionality ==
−
* [[LONG-CHAIN-ALCOHOL-DEHYDROGENASE-RXN-CPD-7873/NAD/WATER//STEARIC_ACID/NADH/PROTON.45.]]
 
 
== External links  ==
 
== External links  ==
−
* CAS : 57-11-4
 
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* METABOLIGHTS : MTBLC25629
 
−
* PUBCHEM:
 
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** [http://pubchem.ncbi.nlm.nih.gov/summary/summary.cgi?cid=3033836 3033836]
 
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* HMDB : HMDB00827
 
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* LIGAND-CPD:
 
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** [http://www.genome.jp/dbget-bin/www_bget?C01530 C01530]
 
−
* CHEMSPIDER:
 
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** [http://www.chemspider.com/Chemical-Structure.2298422.html 2298422]
 
 
* CHEBI:
 
* CHEBI:
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** [http://www.ebi.ac.uk/chebi/searchId.do?chebiId=25629 25629]
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** [http://www.ebi.ac.uk/chebi/searchId.do?chebiId=87045 87045]
−
* BIGG : ocdca
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* PUBCHEM:
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{{#set: smiles=CCCCCCCCCCCCCCCCCC(=O)[O-]}}
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** [http://pubchem.ncbi.nlm.nih.gov/summary/summary.cgi?cid=44263321 44263321]
−
{{#set: inchi key=InChIKey=QIQXTHQIDYTFRH-UHFFFAOYSA-M}}
+
* HMDB : HMDB12171
−
{{#set: common name=stearate}}
+
{{#set: smiles=CC(C)CCCC([CH]4(C1(C)([CH](C2(=C(CC1)C3(C)([CH](CC2)C(C)(CO)C(O)CC3)))CC4)))C}}
−
{{#set: molecular weight=283.473   }}
+
{{#set: molecular weight=430.713   }}
−
{{#set: common name=octadecanoate (n-C18:0)|stearic acid|octadecanoic acid}}
+
{{#set: inchi key=InChIKey=UVSRXDFMOZKKGE-WKYRUEGDSA-N}}
−
{{#set: consumed by=RXN-11820-STEARIC_ACID/HYDROGEN-PEROXIDE//R-2-HYDROXYSTEARATE/WATER.58.|RXN-16380}}
+
{{#set: common name=4α-hydroxymethyl-4β-methyl-5α-cholesta-8-en-3β-ol}}
−
{{#set: produced by=RXN-1602-CPD-17271/WATER//CPD66-43/STEARIC_ACID/PROTON.46.|RXN-9548}}
+
{{#set: consumed by=RXN66-16}}
−
{{#set: consumed or produced by=LONG-CHAIN-ALCOHOL-DEHYDROGENASE-RXN-CPD-7873/NAD/WATER//STEARIC_ACID/NADH/PROTON.45.}}
+
{{#set: produced by=RXN66-15}}

Latest revision as of 17:39, 9 January 2019

Metabolite CPD-8611

  • smiles:
    • CC(C)CCCC([CH]4(C1(C)([CH](C2(=C(CC1)C3(C)([CH](CC2)C(C)(CO)C(O)CC3)))CC4)))C
  • molecular weight:
    • 430.713
  • inchi key:
    • InChIKey=UVSRXDFMOZKKGE-WKYRUEGDSA-N
  • common name:
    • 4α-hydroxymethyl-4β-methyl-5α-cholesta-8-en-3β-ol
  • 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)CCCC([CH]4(C1(C)([CH](C2(=C(CC1)C3(C)([CH](CC2)C(C)(CO)C(O)CC3)))CC4)))C" cannot be used as a page name in this wiki.



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