Difference between revisions of "RXN-9532"

From metabolic_network
Jump to: navigation, search
(Created page with "Category:Metabolite == Metabolite [http://metacyc.org/META/NEW-IMAGE?object=CPD-12177 CPD-12177] == * smiles: ** CC([CH]=O)C(=O)[O-] * inchi key: ** InChIKey=VOKUMXABRRXHA...")
(Created page with "Category:Metabolite == Metabolite [http://metacyc.org/META/NEW-IMAGE?object=CPD-700 CPD-700] == * smiles: ** CC(C)C(=C)CCC(C)[CH]3(CC[CH]4(C2(=CC=C1(CC(O)CCC(C)1[CH]2CCC(C...")
Line 1: Line 1:
 
[[Category:Metabolite]]
 
[[Category:Metabolite]]
== Metabolite [http://metacyc.org/META/NEW-IMAGE?object=CPD-12177 CPD-12177] ==
+
== Metabolite [http://metacyc.org/META/NEW-IMAGE?object=CPD-700 CPD-700] ==
 
* smiles:
 
* smiles:
** CC([CH]=O)C(=O)[O-]
+
** CC(C)C(=C)CCC(C)[CH]3(CC[CH]4(C2(=CC=C1(CC(O)CCC(C)1[CH]2CCC(C)34))))
 
* inchi key:
 
* inchi key:
** InChIKey=VOKUMXABRRXHAR-GSVOUGTGSA-M
+
** InChIKey=ZEPNVCGPJXYABB-LOIOQLKMSA-N
 
* common name:
 
* common name:
** (R)-methylmalonate-semialdehyde
+
** ergosta-5,7,24(28)-trien-3β-ol
 
* molecular weight:
 
* molecular weight:
** 101.082    
+
** 396.655    
 
* Synonym(s):
 
* Synonym(s):
** (R)-2-methyl-3-oxopropanoate
+
** 5,7,24(28)-ergostatrienol
** (R)-ch3-malonate-semialdehyde
+
** 5-dehydro episterol
  
 
== Reaction(s) known to consume the compound ==
 
== Reaction(s) known to consume the compound ==
 +
* [[RXN-707]]
 
== Reaction(s) known to produce the compound ==
 
== Reaction(s) known to produce the compound ==
 +
* [[RXN3O-218]]
 
== Reaction(s) of unknown directionality ==
 
== Reaction(s) of unknown directionality ==
* [[RXN-14056]]
 
 
== External links  ==
 
== External links  ==
 +
* LIGAND-CPD:
 +
** [http://www.genome.jp/dbget-bin/www_bget?C15780 C15780]
 +
* HMDB : HMDB06848
 +
* CHEBI:
 +
** [http://www.ebi.ac.uk/chebi/searchId.do?chebiId=52972 52972]
 
* PUBCHEM:
 
* PUBCHEM:
** [http://pubchem.ncbi.nlm.nih.gov/summary/summary.cgi?cid=46173310 46173310]
+
** [http://pubchem.ncbi.nlm.nih.gov/summary/summary.cgi?cid=10894570 10894570]
{{#set: smiles=CC([CH]=O)C(=O)[O-]}}
+
{{#set: smiles=CC(C)C(=C)CCC(C)[CH]3(CC[CH]4(C2(=CC=C1(CC(O)CCC(C)1[CH]2CCC(C)34))))}}
{{#set: inchi key=InChIKey=VOKUMXABRRXHAR-GSVOUGTGSA-M}}
+
{{#set: inchi key=InChIKey=ZEPNVCGPJXYABB-LOIOQLKMSA-N}}
{{#set: common name=(R)-methylmalonate-semialdehyde}}
+
{{#set: common name=ergosta-5,7,24(28)-trien-3β-ol}}
{{#set: molecular weight=101.082   }}
+
{{#set: molecular weight=396.655   }}
{{#set: common name=(R)-2-methyl-3-oxopropanoate|(R)-ch3-malonate-semialdehyde}}
+
{{#set: common name=5,7,24(28)-ergostatrienol|5-dehydro episterol}}
{{#set: reversible reaction associated=RXN-14056}}
+
{{#set: consumed by=RXN-707}}
 +
{{#set: produced by=RXN3O-218}}

Revision as of 13:12, 21 March 2018

Metabolite CPD-700

  • smiles:
    • CC(C)C(=C)CCC(C)[CH]3(CC[CH]4(C2(=CC=C1(CC(O)CCC(C)1[CH]2CCC(C)34))))
  • inchi key:
    • InChIKey=ZEPNVCGPJXYABB-LOIOQLKMSA-N
  • common name:
    • ergosta-5,7,24(28)-trien-3β-ol
  • molecular weight:
    • 396.655
  • Synonym(s):
    • 5,7,24(28)-ergostatrienol
    • 5-dehydro episterol

Reaction(s) known to consume the compound

Reaction(s) known to produce the compound

Reaction(s) of unknown directionality

External links

"CC(C)C(=C)CCC(C)[CH]3(CC[CH]4(C2(=CC=C1(CC(O)CCC(C)1[CH]2CCC(C)34))))" cannot be used as a page name in this wiki.