Difference between revisions of "Trans-D2-cis-cis-D19-31-C50-3-ACPs"

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(Created page with "Category:Metabolite == Metabolite [http://metacyc.org/META/NEW-IMAGE?object=CPD-202 CPD-202] == * smiles: ** CC(CCC(=O)SCCNC(=O)CCNC(=O)C(O)C(C)(C)COP(=O)(OP(=O)(OCC1(C(OP...")
 
(Created page with "Category:Metabolite == Metabolite [http://metacyc.org/META/NEW-IMAGE?object=CPD-11403 CPD-11403] == * smiles: ** C(=O)([O-])CC1(C=C(I)C(=C(I)C=1)OC2(=CC(I)=C(O)C(I)=C2)) *...")
Line 1: Line 1:
 
[[Category:Metabolite]]
 
[[Category:Metabolite]]
−
== Metabolite [http://metacyc.org/META/NEW-IMAGE?object=CPD-202 CPD-202] ==
+
== Metabolite [http://metacyc.org/META/NEW-IMAGE?object=CPD-11403 CPD-11403] ==
 
* smiles:
 
* smiles:
−
** CC(CCC(=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-])[CH]5(CC[CH]6([CH]7(C(O)C[CH]4(CC(O)CCC(C)4[CH](CC(O)C(C)56)7))))
+
** C(=O)([O-])CC1(C=C(I)C(=C(I)C=1)OC2(=CC(I)=C(O)C(I)=C2))
 
* inchi key:
 
* inchi key:
−
** InChIKey=ZKWNOTQHFKYUNU-JGCIYWTLSA-J
+
** InChIKey=PPJYSSNKSXAVDB-UHFFFAOYSA-M
 
* common name:
 
* common name:
−
** choloyl-CoA
+
** tetraiodothyroacetate
 
* molecular weight:
 
* molecular weight:
−
** 1154.064    
+
** 746.825    
 
* Synonym(s):
 
* Synonym(s):
−
** 3-α,7-α,12-α-trihydroxy-5-β-cholanoyl-CoA
+
** Tetrac
−
** 3α,7α,12α-trihydroxy-5β-cholan-24-oyl-CoA
+
** tetraiodothyroacetic acid
 +
** TA4
  
 
== Reaction(s) known to consume the compound ==
 
== Reaction(s) known to consume the compound ==
 +
* [[RXN-10616]]
 +
* [[RXN-10617]]
 
== Reaction(s) known to produce the compound ==
 
== Reaction(s) known to produce the compound ==
−
* [[2.3.1.176-RXN]]
 
 
== Reaction(s) of unknown directionality ==
 
== Reaction(s) of unknown directionality ==
 
== External links  ==
 
== External links  ==
 
* PUBCHEM:
 
* PUBCHEM:
−
** [http://pubchem.ncbi.nlm.nih.gov/summary/summary.cgi?cid=45266600 45266600]
+
** [http://pubchem.ncbi.nlm.nih.gov/summary/summary.cgi?cid=44237272 44237272]
−
* CHEBI:
+
{{#set: smiles=C(=O)([O-])CC1(C=C(I)C(=C(I)C=1)OC2(=CC(I)=C(O)C(I)=C2))}}
−
** [http://www.ebi.ac.uk/chebi/searchId.do?chebiId=57373 57373]
+
{{#set: inchi key=InChIKey=PPJYSSNKSXAVDB-UHFFFAOYSA-M}}
−
* LIGAND-CPD:
+
{{#set: common name=tetraiodothyroacetate}}
−
** [http://www.genome.jp/dbget-bin/www_bget?C01794 C01794]
+
{{#set: molecular weight=746.825   }}
−
* HMDB : HMDB01374
+
{{#set: common name=Tetrac|tetraiodothyroacetic acid|TA4}}
−
{{#set: smiles=CC(CCC(=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-])[CH]5(CC[CH]6([CH]7(C(O)C[CH]4(CC(O)CCC(C)4[CH](CC(O)C(C)56)7))))}}
+
{{#set: consumed by=RXN-10616|RXN-10617}}
−
{{#set: inchi key=InChIKey=ZKWNOTQHFKYUNU-JGCIYWTLSA-J}}
+
−
{{#set: common name=choloyl-CoA}}
+
−
{{#set: molecular weight=1154.064   }}
+
−
{{#set: common name=3-α,7-α,12-α-trihydroxy-5-β-cholanoyl-CoA|3α,7α,12α-trihydroxy-5β-cholan-24-oyl-CoA}}
+
−
{{#set: produced by=2.3.1.176-RXN}}
+

Revision as of 18:21, 10 January 2018

Metabolite CPD-11403

  • smiles:
    • C(=O)([O-])CC1(C=C(I)C(=C(I)C=1)OC2(=CC(I)=C(O)C(I)=C2))
  • inchi key:
    • InChIKey=PPJYSSNKSXAVDB-UHFFFAOYSA-M
  • common name:
    • tetraiodothyroacetate
  • molecular weight:
    • 746.825
  • Synonym(s):
    • Tetrac
    • tetraiodothyroacetic acid
    • TA4

Reaction(s) known to consume the compound

Reaction(s) known to produce the compound

Reaction(s) of unknown directionality

External links

"C(=O)([O-])CC1(C=C(I)C(=C(I)C=1)OC2(=CC(I)=C(O)C(I)=C2))" cannot be used as a page name in this wiki.



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