Difference between revisions of "Tiso gene 10158"

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(Created page with "Category:Metabolite == Metabolite [http://metacyc.org/META/NEW-IMAGE?object=CPD-4586 CPD-4586] == * smiles: ** C4(=CC5(OC1(=C(C(O)=CC2(O[CH]3(OCC[CH](C1=2)3)))C(=O)C(C(O)=...")
(Created page with "Category:Metabolite == Metabolite [http://metacyc.org/META/NEW-IMAGE?object=CPD-17815 CPD-17815] == * smiles: ** CCCCC=CCCCCCCCC(=O)CC(=O)SCCNC(=O)CCNC(=O)C(O)C(C)(C)COP(=...")
Line 1: Line 1:
 
[[Category:Metabolite]]
 
[[Category:Metabolite]]
−
== Metabolite [http://metacyc.org/META/NEW-IMAGE?object=CPD-4586 CPD-4586] ==
+
== Metabolite [http://metacyc.org/META/NEW-IMAGE?object=CPD-17815 CPD-17815] ==
 
* smiles:
 
* smiles:
−
** C4(=CC5(OC1(=C(C(O)=CC2(O[CH]3(OCC[CH](C1=2)3)))C(=O)C(C(O)=C4)=5)))
+
** CCCCC=CCCCCCCCC(=O)CC(=O)SCCNC(=O)CCNC(=O)C(O)C(C)(C)COP(=O)(OP(=O)(OCC1(C(OP([O-])(=O)[O-])C(O)C(O1)N3(C2(=C(C(N)=NC=N2)N=C3))))[O-])[O-]
−
* inchi key:
+
−
** InChIKey=WUSMTEDKVPWFDN-BWKAKNAASA-N
+
 
* common name:
 
* common name:
−
** dihydrodemethylsterigmatocystin
+
** (11Z)-3-oxo-hexadecenoyl-CoA
 +
* inchi key:
 +
** InChIKey=LGTVDWICXIBIOI-UBPKJMQESA-J
 
* molecular weight:
 
* molecular weight:
−
** 312.278    
+
** 1013.883    
 
* Synonym(s):
 
* Synonym(s):
  
 
== Reaction(s) known to consume the compound ==
 
== Reaction(s) known to consume the compound ==
−
* [[RXN-9500]]
+
* [[RXN-16561]]
 
== Reaction(s) known to produce the compound ==
 
== Reaction(s) known to produce the compound ==
 +
* [[RXN-16559]]
 
== Reaction(s) of unknown directionality ==
 
== Reaction(s) of unknown directionality ==
 
== External links  ==
 
== External links  ==
−
* LIGAND-CPD:
 
−
** [http://www.genome.jp/dbget-bin/www_bget?C20444 C20444]
 
−
* CHEMSPIDER:
 
−
** [http://www.chemspider.com/Chemical-Structure.4588953.html 4588953]
 
−
* HMDB : HMDB33658
 
 
* PUBCHEM:
 
* PUBCHEM:
−
** [http://pubchem.ncbi.nlm.nih.gov/summary/summary.cgi?cid=20832874 20832874]
+
** [http://pubchem.ncbi.nlm.nih.gov/summary/summary.cgi?cid=86289728 86289728]
−
{{#set: smiles=C4(=CC5(OC1(=C(C(O)=CC2(O[CH]3(OCC[CH](C1=2)3)))C(=O)C(C(O)=C4)=5)))}}
+
* CHEBI:
−
{{#set: inchi key=InChIKey=WUSMTEDKVPWFDN-BWKAKNAASA-N}}
+
** [http://www.ebi.ac.uk/chebi/searchId.do?chebiId=79021 79021]
−
{{#set: common name=dihydrodemethylsterigmatocystin}}
+
{{#set: smiles=CCCCC=CCCCCCCCC(=O)CC(=O)SCCNC(=O)CCNC(=O)C(O)C(C)(C)COP(=O)(OP(=O)(OCC1(C(OP([O-])(=O)[O-])C(O)C(O1)N3(C2(=C(C(N)=NC=N2)N=C3))))[O-])[O-]}}
−
{{#set: molecular weight=312.278   }}
+
{{#set: common name=(11Z)-3-oxo-hexadecenoyl-CoA}}
−
{{#set: consumed by=RXN-9500}}
+
{{#set: inchi key=InChIKey=LGTVDWICXIBIOI-UBPKJMQESA-J}}
 +
{{#set: molecular weight=1013.883   }}
 +
{{#set: consumed by=RXN-16561}}
 +
{{#set: produced by=RXN-16559}}

Revision as of 16:58, 21 March 2018

Metabolite CPD-17815

  • smiles:
    • CCCCC=CCCCCCCCC(=O)CC(=O)SCCNC(=O)CCNC(=O)C(O)C(C)(C)COP(=O)(OP(=O)(OCC1(C(OP([O-])(=O)[O-])C(O)C(O1)N3(C2(=C(C(N)=NC=N2)N=C3))))[O-])[O-]
  • common name:
    • (11Z)-3-oxo-hexadecenoyl-CoA
  • inchi key:
    • InChIKey=LGTVDWICXIBIOI-UBPKJMQESA-J
  • molecular weight:
    • 1013.883
  • Synonym(s):

Reaction(s) known to consume the compound

Reaction(s) known to produce the compound

Reaction(s) of unknown directionality

External links

"CCCCC=CCCCCCCCC(=O)CC(=O)SCCNC(=O)CCNC(=O)C(O)C(C)(C)COP(=O)(OP(=O)(OCC1(C(OP([O-])(=O)[O-])C(O)C(O1)N3(C2(=C(C(N)=NC=N2)N=C3))))[O-])[O-" cannot be used as a page name in this wiki.



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