Difference between revisions of "CPD-3945"

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(Created page with "Category:Metabolite == Metabolite [http://metacyc.org/META/NEW-IMAGE?object=CPD-14717 CPD-14717] == * smiles: ** CCCCCCCCCCCCCCCCC(O)C(=O)SCCNC(=O)CCNC(=O)C(O)C(C)(C)COP(=...")
(Created page with "Category:Metabolite == Metabolite [http://metacyc.org/META/NEW-IMAGE?object=CPD-3945 CPD-3945] == * smiles: ** CC(C)C(C)CC(O)C(C)[CH]3(CC[CH]4([CH]2(CCC1(=CC(=O)CCC(C)1[CH...")
 
(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-14717 CPD-14717] ==
+
== Metabolite [http://metacyc.org/META/NEW-IMAGE?object=CPD-3945 CPD-3945] ==
 
* smiles:
 
* smiles:
−
** CCCCCCCCCCCCCCCCC(O)C(=O)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-]
+
** CC(C)C(C)CC(O)C(C)[CH]3(CC[CH]4([CH]2(CCC1(=CC(=O)CCC(C)1[CH]2CCC(C)34))))
 
* common name:
 
* common name:
−
** (R)-2-hydroxy-stearoyl-CoA
+
** (22α)-hydroxy-campest-4-en-3-one
 
* inchi key:
 
* inchi key:
−
** InChIKey=OJQMIXCIJFLULT-MXQBTARFSA-J
+
** InChIKey=FMFAICDKESPFNH-NQMBQAPESA-N
 
* molecular weight:
 
* molecular weight:
−
** 1045.968    
+
** 414.67    
 
* Synonym(s):
 
* Synonym(s):
 +
** (22S)-22-hydroxy-campest-4-en-3-one
 +
** (22S,24R)-22-hydroxy-ergost-4-en-3-one
  
 
== Reaction(s) known to consume the compound ==
 
== Reaction(s) known to consume the compound ==
−
* [[RXN66-475-CPD-14717//CPD-14719/FORMYL-COA.32.]]
 
 
== Reaction(s) known to produce the compound ==
 
== Reaction(s) known to produce the compound ==
−
* [[RXN66-474-R-2-HYDROXYSTEARATE/ATP/CO-A//CPD-14717/AMP/PPI.48.]]
+
* [[RXN-4231]]
 
== Reaction(s) of unknown directionality ==
 
== Reaction(s) of unknown directionality ==
−
* [[ACECOATRANS-RXN-CPD-14717/ACET//R-2-HYDROXYSTEARATE/ACETYL-COA.47.]]
 
 
== External links  ==
 
== External links  ==
 +
* LIPID_MAPS : LMST01031116
 
* PUBCHEM:
 
* PUBCHEM:
−
** [http://pubchem.ncbi.nlm.nih.gov/summary/summary.cgi?cid=90658965 90658965]
+
** [http://pubchem.ncbi.nlm.nih.gov/summary/summary.cgi?cid=15341631 15341631]
−
{{#set: smiles=CCCCCCCCCCCCCCCCC(O)C(=O)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-]}}
+
* HMDB : HMDB12113
−
{{#set: common name=(R)-2-hydroxy-stearoyl-CoA}}
+
* CHEBI:
−
{{#set: inchi key=InChIKey=OJQMIXCIJFLULT-MXQBTARFSA-J}}
+
** [http://www.ebi.ac.uk/chebi/searchId.do?chebiId=72330 72330]
−
{{#set: molecular weight=1045.968   }}
+
* LIGAND-CPD:
−
{{#set: consumed by=RXN66-475-CPD-14717//CPD-14719/FORMYL-COA.32.}}
+
** [http://www.genome.jp/dbget-bin/www_bget?C15796 C15796]
−
{{#set: produced by=RXN66-474-R-2-HYDROXYSTEARATE/ATP/CO-A//CPD-14717/AMP/PPI.48.}}
+
{{#set: smiles=CC(C)C(C)CC(O)C(C)[CH]3(CC[CH]4([CH]2(CCC1(=CC(=O)CCC(C)1[CH]2CCC(C)34))))}}
−
{{#set: consumed or produced by=ACECOATRANS-RXN-CPD-14717/ACET//R-2-HYDROXYSTEARATE/ACETYL-COA.47.}}
+
{{#set: common name=(22α)-hydroxy-campest-4-en-3-one}}
 +
{{#set: inchi key=InChIKey=FMFAICDKESPFNH-NQMBQAPESA-N}}
 +
{{#set: molecular weight=414.67   }}
 +
{{#set: common name=(22S)-22-hydroxy-campest-4-en-3-one|(22S,24R)-22-hydroxy-ergost-4-en-3-one}}
 +
{{#set: produced by=RXN-4231}}

Latest revision as of 19:18, 21 March 2018

Metabolite CPD-3945

  • smiles:
    • CC(C)C(C)CC(O)C(C)[CH]3(CC[CH]4([CH]2(CCC1(=CC(=O)CCC(C)1[CH]2CCC(C)34))))
  • common name:
    • (22α)-hydroxy-campest-4-en-3-one
  • inchi key:
    • InChIKey=FMFAICDKESPFNH-NQMBQAPESA-N
  • molecular weight:
    • 414.67
  • Synonym(s):
    • (22S)-22-hydroxy-campest-4-en-3-one
    • (22S,24R)-22-hydroxy-ergost-4-en-3-one

Reaction(s) known to consume the compound

Reaction(s) known to produce the compound

Reaction(s) of unknown directionality

External links

  • LIPID_MAPS : LMST01031116
  • PUBCHEM:
  • HMDB : HMDB12113
  • CHEBI:
  • LIGAND-CPD:
"CC(C)C(C)CC(O)C(C)[CH]3(CC[CH]4([CH]2(CCC1(=CC(=O)CCC(C)1[CH]2CCC(C)34))))" cannot be used as a page name in this wiki.



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