Difference between revisions of "CPD-7061"

From metabolic_network
Jump to: navigation, search
(Created page with "Category:Metabolite == Metabolite [http://metacyc.org/META/NEW-IMAGE?object=PREGNENOLONE PREGNENOLONE] == * smiles: ** CC(=O)[CH]3(CC[CH]4([CH]2(CC=C1(CC(O)CCC(C)1[CH]2CCC...")
(Created page with "Category:Metabolite == Metabolite [http://metacyc.org/META/NEW-IMAGE?object=CPD-7061 CPD-7061] == * smiles: ** C=CC5(=C(C)C6(=CC1(C(C)C(CCC(=O)[O-])C(N=1)=C3([C-](C(OC)=O)...")
Line 1: Line 1:
 
[[Category:Metabolite]]
 
[[Category:Metabolite]]
−
== Metabolite [http://metacyc.org/META/NEW-IMAGE?object=PREGNENOLONE PREGNENOLONE] ==
+
== Metabolite [http://metacyc.org/META/NEW-IMAGE?object=CPD-7061 CPD-7061] ==
 
* smiles:
 
* smiles:
−
** CC(=O)[CH]3(CC[CH]4([CH]2(CC=C1(CC(O)CCC(C)1[CH]2CCC(C)34))))
+
** C=CC5(=C(C)C6(=CC1(C(C)C(CCC(=O)[O-])C(N=1)=C3([C-](C(OC)=O)C(=O)C2(C(C)=C(NC=23)C=C4(C(CC)=C(C)C(=N4)C=C5N6))))))
 
* inchi key:
 
* inchi key:
−
** InChIKey=ORNBQBCIOKFOEO-QGVNFLHTSA-N
+
** InChIKey=UXWYEAZHZLZDGM-ZVEVZSNKSA-M
 
* common name:
 
* common name:
−
** pregnenolone
+
** pheophorbide a
 
* molecular weight:
 
* molecular weight:
−
** 316.483    
+
** 590.677    
 
* Synonym(s):
 
* Synonym(s):
−
** 1-[(3-hydroxy-10,13-dimethyl-2,3,4,7,8,9,10,11,12,13,14,15,16, 17-tetradecahydro-1H-cyclopenta[a]phenanthren-17-yl)]ethanone
+
** pheide a
−
** 5-pregnen-3-β-ol-20-one
+
−
** 3-β-hydroxypregn-5-en-20-one
+
−
** 3beta-hydroxypregn-5-en-20-one
+
  
 
== Reaction(s) known to consume the compound ==
 
== Reaction(s) known to consume the compound ==
−
* [[RXN66-353]]
+
* [[RXN-17252]]
 +
* [[RXN-7740]]
 
== Reaction(s) known to produce the compound ==
 
== Reaction(s) known to produce the compound ==
 
== Reaction(s) of unknown directionality ==
 
== Reaction(s) of unknown directionality ==
 
== External links  ==
 
== External links  ==
−
* DRUGBANK : DB02789
 
−
* CAS : 145-13-1
 
−
* Wikipedia : Pregnenolone
 
−
* LIPID_MAPS : LMST02030088
 
 
* PUBCHEM:
 
* PUBCHEM:
−
** [http://pubchem.ncbi.nlm.nih.gov/summary/summary.cgi?cid=8955 8955]
+
** [http://pubchem.ncbi.nlm.nih.gov/summary/summary.cgi?cid=90658422 90658422]
−
* HMDB : HMDB00253
+
−
* LIGAND-CPD:
+
−
** [http://www.genome.jp/dbget-bin/www_bget?C01953 C01953]
+
 
* CHEMSPIDER:
 
* CHEMSPIDER:
−
** [http://www.chemspider.com/Chemical-Structure.8611.html 8611]
+
** [http://www.chemspider.com/Chemical-Structure.4481064.html 4481064]
 
* CHEBI:
 
* CHEBI:
−
** [http://www.ebi.ac.uk/chebi/searchId.do?chebiId=16581 16581]
+
** [http://www.ebi.ac.uk/chebi/searchId.do?chebiId=58687 58687]
−
* METABOLIGHTS : MTBLC16581
+
* LIGAND-CPD:
−
{{#set: smiles=CC(=O)[CH]3(CC[CH]4([CH]2(CC=C1(CC(O)CCC(C)1[CH]2CCC(C)34))))}}
+
** [http://www.genome.jp/dbget-bin/www_bget?C18021 C18021]
−
{{#set: inchi key=InChIKey=ORNBQBCIOKFOEO-QGVNFLHTSA-N}}
+
{{#set: smiles=C=CC5(=C(C)C6(=CC1(C(C)C(CCC(=O)[O-])C(N=1)=C3([C-](C(OC)=O)C(=O)C2(C(C)=C(NC=23)C=C4(C(CC)=C(C)C(=N4)C=C5N6))))))}}
−
{{#set: common name=pregnenolone}}
+
{{#set: inchi key=InChIKey=UXWYEAZHZLZDGM-ZVEVZSNKSA-M}}
−
{{#set: molecular weight=316.483   }}
+
{{#set: common name=pheophorbide a}}
−
{{#set: common name=1-[(3-hydroxy-10,13-dimethyl-2,3,4,7,8,9,10,11,12,13,14,15,16, 17-tetradecahydro-1H-cyclopenta[a]phenanthren-17-yl)]ethanone|5-pregnen-3-β-ol-20-one|3-β-hydroxypregn-5-en-20-one|3beta-hydroxypregn-5-en-20-one}}
+
{{#set: molecular weight=590.677   }}
−
{{#set: consumed by=RXN66-353}}
+
{{#set: common name=pheide a}}
 +
{{#set: consumed by=RXN-17252|RXN-7740}}

Revision as of 15:08, 23 May 2018

Metabolite CPD-7061

  • smiles:
    • C=CC5(=C(C)C6(=CC1(C(C)C(CCC(=O)[O-])C(N=1)=C3([C-](C(OC)=O)C(=O)C2(C(C)=C(NC=23)C=C4(C(CC)=C(C)C(=N4)C=C5N6))))))
  • inchi key:
    • InChIKey=UXWYEAZHZLZDGM-ZVEVZSNKSA-M
  • common name:
    • pheophorbide a
  • molecular weight:
    • 590.677
  • Synonym(s):
    • pheide a

Reaction(s) known to consume the compound

Reaction(s) known to produce the compound

Reaction(s) of unknown directionality

External links

"C=CC5(=C(C)C6(=CC1(C(C)C(CCC(=O)[O-])C(N=1)=C3([C-](C(OC)=O)C(=O)C2(C(C)=C(NC=23)C=C4(C(CC)=C(C)C(=N4)C=C5N6))))))" cannot be used as a page name in this wiki.



Retrieved from "http://gem-aureme.irisa.fr/ccrgem/index.php?title=CPD-7061&oldid=13395"