Difference between revisions of "Ec-20 001020"

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(Created page with "Category:Metabolite == Metabolite [http://metacyc.org/META/NEW-IMAGE?object=DESMOSTEROL-CPD DESMOSTEROL-CPD] == * smiles: ** CC(C)=CCCC(C)[CH]1(CC[CH]2(C(C)1CC[CH]3([CH]2C...")
(Created page with "Category:Metabolite == Metabolite [http://metacyc.org/META/NEW-IMAGE?object=CPD-653 CPD-653] == * smiles: ** C1(=C(CCC(O)N1C5(OC(COP(=O)([O-])OP(=O)([O-])OCC2(OC(C(O)C(O)2...")
Line 1: Line 1:
 
[[Category:Metabolite]]
 
[[Category:Metabolite]]
−
== Metabolite [http://metacyc.org/META/NEW-IMAGE?object=DESMOSTEROL-CPD DESMOSTEROL-CPD] ==
+
== Metabolite [http://metacyc.org/META/NEW-IMAGE?object=CPD-653 CPD-653] ==
 
* smiles:
 
* smiles:
−
** CC(C)=CCCC(C)[CH]1(CC[CH]2(C(C)1CC[CH]3([CH]2CC=C4(C(C)3CCC(O)C4))))
+
** C1(=C(CCC(O)N1C5(OC(COP(=O)([O-])OP(=O)([O-])OCC2(OC(C(O)C(O)2)N4(C=NC3(C(N)=NC=NC=34))))C(O)C(O)5))C(N)=O)
 
* inchi key:
 
* inchi key:
−
** InChIKey=AVSXSVCZWQODGV-DPAQBDIFSA-N
+
** InChIKey=IDBZKGQRLBFUFQ-VPHRTNKSSA-L
 
* common name:
 
* common name:
−
** desmosterol
+
** (S)-NADHX
 
* molecular weight:
 
* molecular weight:
−
** 384.644    
+
** 681.445    
 
* Synonym(s):
 
* Synonym(s):
−
** 24-dehydrocholesterol
+
** (6S)-6-β-hydroxy-1,4,5,6-tetrahydronicotinamide-adenine dinucleotide
−
** Δ5,24-cholestadien-3-β-ol
+
−
** desmesterol
+
  
 
== 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 ==
−
* [[RXN66-27]]
+
* [[RXN-12753]]
 
== Reaction(s) of unknown directionality ==
 
== Reaction(s) of unknown directionality ==
 
== External links  ==
 
== External links  ==
−
* CAS : 313-04-2
 
−
* LIPID_MAPS : LMST01010016
 
 
* PUBCHEM:
 
* PUBCHEM:
−
** [http://pubchem.ncbi.nlm.nih.gov/summary/summary.cgi?cid=439577 439577]
+
** [http://pubchem.ncbi.nlm.nih.gov/summary/summary.cgi?cid=25203523 25203523]
−
* HMDB : HMDB02719
+
−
* LIGAND-CPD:
+
−
** [http://www.genome.jp/dbget-bin/www_bget?C01802 C01802]
+
−
* CHEMSPIDER:
+
−
** [http://www.chemspider.com/Chemical-Structure.388662.html 388662]
+
 
* CHEBI:
 
* CHEBI:
−
** [http://www.ebi.ac.uk/chebi/searchId.do?chebiId=17737 17737]
+
** [http://www.ebi.ac.uk/chebi/searchId.do?chebiId=64074 64074]
−
* METABOLIGHTS : MTBLC17737
+
* LIGAND-CPD:
−
{{#set: smiles=CC(C)=CCCC(C)[CH]1(CC[CH]2(C(C)1CC[CH]3([CH]2CC=C4(C(C)3CCC(O)C4))))}}
+
** [http://www.genome.jp/dbget-bin/www_bget?C04856 C04856]
−
{{#set: inchi key=InChIKey=AVSXSVCZWQODGV-DPAQBDIFSA-N}}
+
* HMDB : HMDB59644
−
{{#set: common name=desmosterol}}
+
{{#set: smiles=C1(=C(CCC(O)N1C5(OC(COP(=O)([O-])OP(=O)([O-])OCC2(OC(C(O)C(O)2)N4(C=NC3(C(N)=NC=NC=34))))C(O)C(O)5))C(N)=O)}}
−
{{#set: molecular weight=384.644   }}
+
{{#set: inchi key=InChIKey=IDBZKGQRLBFUFQ-VPHRTNKSSA-L}}
−
{{#set: common name=24-dehydrocholesterol|Δ5,24-cholestadien-3-β-ol|desmesterol}}
+
{{#set: common name=(S)-NADHX}}
−
{{#set: produced by=RXN66-27}}
+
{{#set: molecular weight=681.445   }}
 +
{{#set: common name=(6S)-6-β-hydroxy-1,4,5,6-tetrahydronicotinamide-adenine dinucleotide}}
 +
{{#set: produced by=RXN-12753}}

Revision as of 14:54, 21 March 2018

Metabolite CPD-653

  • smiles:
    • C1(=C(CCC(O)N1C5(OC(COP(=O)([O-])OP(=O)([O-])OCC2(OC(C(O)C(O)2)N4(C=NC3(C(N)=NC=NC=34))))C(O)C(O)5))C(N)=O)
  • inchi key:
    • InChIKey=IDBZKGQRLBFUFQ-VPHRTNKSSA-L
  • common name:
    • (S)-NADHX
  • molecular weight:
    • 681.445
  • Synonym(s):
    • (6S)-6-β-hydroxy-1,4,5,6-tetrahydronicotinamide-adenine dinucleotide

Reaction(s) known to consume the compound

Reaction(s) known to produce the compound

Reaction(s) of unknown directionality

External links

"C1(=C(CCC(O)N1C5(OC(COP(=O)([O-])OP(=O)([O-])OCC2(OC(C(O)C(O)2)N4(C=NC3(C(N)=NC=NC=34))))C(O)C(O)5))C(N)=O)" cannot be used as a page name in this wiki.



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