Difference between revisions of "CPD-3945"

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(Created page with "Category:Metabolite == Metabolite [http://metacyc.org/META/NEW-IMAGE?object=MONO-VINYL-PROTOCHLOROPHYLLIDE-A MONO-VINYL-PROTOCHLOROPHYLLIDE-A] == * smiles: ** C=CC2(C(C)=C...")
(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...")
 
(One intermediate revision by the same user not shown)
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[[Category:Metabolite]]
 
[[Category:Metabolite]]
−
== Metabolite [http://metacyc.org/META/NEW-IMAGE?object=MONO-VINYL-PROTOCHLOROPHYLLIDE-A MONO-VINYL-PROTOCHLOROPHYLLIDE-A] ==
+
== Metabolite [http://metacyc.org/META/NEW-IMAGE?object=CPD-3945 CPD-3945] ==
 
* smiles:
 
* smiles:
−
** C=CC2(C(C)=C4(C=C9(C(C)=C(CCC(=O)[O-])C5(=N([Mg]36(N1(=C(C(CC)=C(C)C1=CC=2N34)C=C7(C(C)=C8(C(=O)[C-](C(OC)=O)C5=C(N67)8)))))9))))
+
** 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))))
 +
* inchi key:
 +
** InChIKey=FMFAICDKESPFNH-NQMBQAPESA-N
 
* common name:
 
* common name:
−
** protochlorophyllide a
+
** (22α)-hydroxy-campest-4-en-3-one
 
* molecular weight:
 
* molecular weight:
−
** 610.951    
+
** 414.67    
 
* Synonym(s):
 
* Synonym(s):
−
** monovinyl protochlorophyllide a
+
** (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 ==
 
== Reaction(s) known to produce the compound ==
 
== Reaction(s) known to produce the compound ==
 +
* [[RXN-4231]]
 
== Reaction(s) of unknown directionality ==
 
== Reaction(s) of unknown directionality ==
−
* [[RXN1F-10]]
 
 
== External links  ==
 
== External links  ==
−
* CAS : 14751-08-7
+
* LIPID_MAPS : LMST01031116
 
* PUBCHEM:
 
* PUBCHEM:
−
** [http://pubchem.ncbi.nlm.nih.gov/summary/summary.cgi?cid=54749448 54749448]
+
** [http://pubchem.ncbi.nlm.nih.gov/summary/summary.cgi?cid=25201842 25201842]
 
* CHEBI:
 
* CHEBI:
−
** [http://www.ebi.ac.uk/chebi/searchId.do?chebiId=57855 57855]
+
** [http://www.ebi.ac.uk/chebi/searchId.do?chebiId=72330 72330]
 
* LIGAND-CPD:
 
* LIGAND-CPD:
−
** [http://www.genome.jp/dbget-bin/www_bget?C02880 C02880]
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** [http://www.genome.jp/dbget-bin/www_bget?C15796 C15796]
−
* HMDB : HMDB31148
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* HMDB : HMDB12113
−
{{#set: smiles=C=CC2(C(C)=C4(C=C9(C(C)=C(CCC(=O)[O-])C5(=N([Mg]36(N1(=C(C(CC)=C(C)C1=CC=2N34)C=C7(C(C)=C8(C(=O)[C-](C(OC)=O)C5=C(N67)8)))))9))))}}
+
{{#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: common name=protochlorophyllide a}}
+
{{#set: inchi key=InChIKey=FMFAICDKESPFNH-NQMBQAPESA-N}}
−
{{#set: molecular weight=610.951   }}
+
{{#set: common name=(22α)-hydroxy-campest-4-en-3-one}}
−
{{#set: common name=monovinyl protochlorophyllide a}}
+
{{#set: molecular weight=414.67   }}
−
{{#set: reversible reaction associated=RXN1F-10}}
+
{{#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 19:08, 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))))
  • inchi key:
    • InChIKey=FMFAICDKESPFNH-NQMBQAPESA-N
  • common name:
    • (22α)-hydroxy-campest-4-en-3-one
  • 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:
  • CHEBI:
  • LIGAND-CPD:
  • HMDB : HMDB12113
"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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