Difference between revisions of "PWY-5022"

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(Created page with "Category:Metabolite == Metabolite [http://metacyc.org/META/NEW-IMAGE?object=DOPAMINE DOPAMINE] == * smiles: ** C(CC1(C=C(C(=CC=1)O)O))[N+] * inchi key: ** InChIKey=VYFYYTL...")
(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=DOPAMINE DOPAMINE] ==
+
== Metabolite [http://metacyc.org/META/NEW-IMAGE?object=CPD-700 CPD-700] ==
 
* smiles:
 
* smiles:
−
** C(CC1(C=C(C(=CC=1)O)O))[N+]
+
** 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=VYFYYTLLBUKUHU-UHFFFAOYSA-O
+
 
* common name:
 
* common name:
−
** dopamine
+
** ergosta-5,7,24(28)-trien-3β-ol
 +
* inchi key:
 +
** InChIKey=ZEPNVCGPJXYABB-LOIOQLKMSA-N
 
* molecular weight:
 
* molecular weight:
−
** 154.188    
+
** 396.655    
 
* Synonym(s):
 
* Synonym(s):
−
** deoxyepinephrine
+
** 5,7,24(28)-ergostatrienol
−
** hydroxytyramine
+
** 5-dehydro episterol
−
** 3,4-dihydroxyphenethylamine
+
−
** intropin
+
−
** 2-(3,4-dihydroxyphenyl)ethylamine
+
−
** 4-(2-aminoethyl)benzene-1,2-diol
+
−
** 3-hydroxytyramine
+
  
 
== Reaction(s) known to consume the compound ==
 
== Reaction(s) known to consume the compound ==
−
* [[RXN6666-9]]
+
* [[RXN-707]]
−
* [[RXN6666-4]]
+
 
== 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 ==
 
== External links  ==
 
== External links  ==
−
* CAS : 51-61-6
 
−
* METABOLIGHTS : MTBLC59905
 
−
* PUBCHEM:
 
−
** [http://pubchem.ncbi.nlm.nih.gov/summary/summary.cgi?cid=3713609 3713609]
 
−
* HMDB : HMDB00073
 
 
* LIGAND-CPD:
 
* LIGAND-CPD:
−
** [http://www.genome.jp/dbget-bin/www_bget?C03758 C03758]
+
** [http://www.genome.jp/dbget-bin/www_bget?C15780 C15780]
−
* CHEMSPIDER:
+
−
** [http://www.chemspider.com/Chemical-Structure.2944843.html 2944843]
+
 
* CHEBI:
 
* CHEBI:
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** [http://www.ebi.ac.uk/chebi/searchId.do?chebiId=59905 59905]
+
** [http://www.ebi.ac.uk/chebi/searchId.do?chebiId=52972 52972]
−
* BIGG : dopa
+
* PUBCHEM:
−
{{#set: smiles=C(CC1(C=C(C(=CC=1)O)O))[N+]}}
+
** [http://pubchem.ncbi.nlm.nih.gov/summary/summary.cgi?cid=10894570 10894570]
−
{{#set: inchi key=InChIKey=VYFYYTLLBUKUHU-UHFFFAOYSA-O}}
+
* HMDB : HMDB06848
−
{{#set: common name=dopamine}}
+
{{#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: molecular weight=154.188   }}
+
{{#set: common name=ergosta-5,7,24(28)-trien-3β-ol}}
−
{{#set: common name=deoxyepinephrine|hydroxytyramine|3,4-dihydroxyphenethylamine|intropin|2-(3,4-dihydroxyphenyl)ethylamine|4-(2-aminoethyl)benzene-1,2-diol|3-hydroxytyramine}}
+
{{#set: inchi key=InChIKey=ZEPNVCGPJXYABB-LOIOQLKMSA-N}}
−
{{#set: consumed by=RXN6666-9|RXN6666-4}}
+
{{#set: molecular weight=396.655   }}
 +
{{#set: common name=5,7,24(28)-ergostatrienol|5-dehydro episterol}}
 +
{{#set: consumed by=RXN-707}}
 +
{{#set: produced by=RXN3O-218}}

Revision as of 15:48, 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))))
  • common name:
    • ergosta-5,7,24(28)-trien-3β-ol
  • inchi key:
    • InChIKey=ZEPNVCGPJXYABB-LOIOQLKMSA-N
  • 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.




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