Difference between revisions of "Tiso gene 4747"

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(Created page with "Category:Metabolite == Metabolite [http://metacyc.org/META/NEW-IMAGE?object=BENZALDEHYDE BENZALDEHYDE] == * smiles: ** C(=O)C1(=CC=CC=C1) * inchi key: ** InChIKey=HUMNYLRZ...")
(Created page with "Category:Metabolite == Metabolite [http://metacyc.org/META/NEW-IMAGE?object=CPD-17386 CPD-17386] == * smiles: ** CCC=CCC=CCC=CCC=CCC=CCC=CCCC=CC(SCCNC(=O)CCNC(=O)C(O)C(C)(...")
Line 1: Line 1:
 
[[Category:Metabolite]]
 
[[Category:Metabolite]]
== Metabolite [http://metacyc.org/META/NEW-IMAGE?object=BENZALDEHYDE BENZALDEHYDE] ==
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== Metabolite [http://metacyc.org/META/NEW-IMAGE?object=CPD-17386 CPD-17386] ==
 
* smiles:
 
* smiles:
** C(=O)C1(=CC=CC=C1)
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** CCC=CCC=CCC=CCC=CCC=CCC=CCCC=CC(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-])=O
 
* inchi key:
 
* inchi key:
** InChIKey=HUMNYLRZRPPJDN-UHFFFAOYSA-N
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** InChIKey=NVOWZIBKQIWTDG-ADUCOSNASA-J
 
* common name:
 
* common name:
** benzaldehyde
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** (2E,6Z,9Z,12Z,15Z,18Z,21Z)-tetracosaheptaenoyl-CoA
 
* molecular weight:
 
* molecular weight:
** 106.124    
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** 1100.019    
 
* Synonym(s):
 
* Synonym(s):
** benzanoaldehyde
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** (2E,6Z,9Z,12Z,15Z,18Z,21Z)-tetracosa-2,6,9,12,15,18,21-heptaenoyl-CoA
  
 
== Reaction(s) known to consume the compound ==
 
== Reaction(s) known to consume the compound ==
* [[BENZALDEHYDE-DEHYDROGENASE-NADP+-RXN]]
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* [[RXN-16135]]
 
== Reaction(s) known to produce the compound ==
 
== Reaction(s) known to produce the compound ==
 +
* [[RXN-16134]]
 
== Reaction(s) of unknown directionality ==
 
== Reaction(s) of unknown directionality ==
* [[BENZALDEHYDE-DEHYDROGENASE-NAD+-RXN]]
 
 
== External links  ==
 
== External links  ==
* CAS : 100-52-7
 
 
* PUBCHEM:
 
* PUBCHEM:
** [http://pubchem.ncbi.nlm.nih.gov/summary/summary.cgi?cid=240 240]
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** [http://pubchem.ncbi.nlm.nih.gov/summary/summary.cgi?cid=72193705 72193705]
* HMDB : HMDB06115
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* LIGAND-CPD:
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** [http://www.genome.jp/dbget-bin/www_bget?C00261 C00261]
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* CHEMSPIDER:
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** [http://www.chemspider.com/Chemical-Structure.235.html 235]
+
 
* CHEBI:
 
* CHEBI:
** [http://www.ebi.ac.uk/chebi/searchId.do?chebiId=17169 17169]
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** [http://www.ebi.ac.uk/chebi/searchId.do?chebiId=76360 76360]
* METABOLIGHTS : MTBLC17169
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{{#set: smiles=CCC=CCC=CCC=CCC=CCC=CCC=CCCC=CC(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-])=O}}
{{#set: smiles=C(=O)C1(=CC=CC=C1)}}
+
{{#set: inchi key=InChIKey=NVOWZIBKQIWTDG-ADUCOSNASA-J}}
{{#set: inchi key=InChIKey=HUMNYLRZRPPJDN-UHFFFAOYSA-N}}
+
{{#set: common name=(2E,6Z,9Z,12Z,15Z,18Z,21Z)-tetracosaheptaenoyl-CoA}}
{{#set: common name=benzaldehyde}}
+
{{#set: molecular weight=1100.019   }}
{{#set: molecular weight=106.124   }}
+
{{#set: common name=(2E,6Z,9Z,12Z,15Z,18Z,21Z)-tetracosa-2,6,9,12,15,18,21-heptaenoyl-CoA}}
{{#set: common name=benzanoaldehyde}}
+
{{#set: consumed by=RXN-16135}}
{{#set: consumed by=BENZALDEHYDE-DEHYDROGENASE-NADP+-RXN}}
+
{{#set: produced by=RXN-16134}}
{{#set: consumed or produced by=BENZALDEHYDE-DEHYDROGENASE-NAD+-RXN}}
+

Revision as of 18:42, 18 March 2018

Metabolite CPD-17386

  • smiles:
    • CCC=CCC=CCC=CCC=CCC=CCC=CCCC=CC(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-])=O
  • inchi key:
    • InChIKey=NVOWZIBKQIWTDG-ADUCOSNASA-J
  • common name:
    • (2E,6Z,9Z,12Z,15Z,18Z,21Z)-tetracosaheptaenoyl-CoA
  • molecular weight:
    • 1100.019
  • Synonym(s):
    • (2E,6Z,9Z,12Z,15Z,18Z,21Z)-tetracosa-2,6,9,12,15,18,21-heptaenoyl-CoA

Reaction(s) known to consume the compound

Reaction(s) known to produce the compound

Reaction(s) of unknown directionality

External links

"CCC=CCC=CCC=CCC=CCC=CCC=CCCC=CC(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-])=O" cannot be used as a page name in this wiki.