Difference between revisions of "CPDQT-40"

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(Created page with "Category:Metabolite == Metabolite [http://metacyc.org/META/NEW-IMAGE?object=CPD-13754 CPD-13754] == * smiles: ** CC(C)(C(O)C(=O)NCCC(=O)NCCSC(=O)CCC1(C(=O)CCC2(C)(C(=O)CC[...")
(Created page with "Category:Metabolite == Metabolite [http://metacyc.org/META/NEW-IMAGE?object=CPDQT-40 CPDQT-40] == * smiles: ** CSCCCCCCCC(C(O)C(=O)[O-])C(=O)[O-] * common name: ** 3-(7'-m...")
 
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[[Category:Metabolite]]
 
[[Category:Metabolite]]
−
== Metabolite [http://metacyc.org/META/NEW-IMAGE?object=CPD-13754 CPD-13754] ==
+
== Metabolite [http://metacyc.org/META/NEW-IMAGE?object=CPDQT-40 CPDQT-40] ==
 
* smiles:
 
* smiles:
−
** CC(C)(C(O)C(=O)NCCC(=O)NCCSC(=O)CCC1(C(=O)CCC2(C)(C(=O)CC[CH]12)))COP(=O)(OP(=O)(OCC3(C(OP([O-])(=O)[O-])C(O)C(O3)N5(C4(=C(C(N)=NC=N4)N=C5))))[O-])[O-]
+
** CSCCCCCCCC(C(O)C(=O)[O-])C(=O)[O-]
 
* common name:
 
* common name:
−
** 3-[(3aS,4S,7aS)-7a-methyl-1,5-dioxo-octahydro-1H-inden-4-yl]propanoyl-CoA
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** 3-(7'-methylthio)heptylmalate
 
* inchi key:
 
* inchi key:
−
** InChIKey=IWNWMTZIJPUDPV-MDQHZGBLSA-J
+
** InChIKey=SXLJFGXGVBWOOB-UHFFFAOYSA-L
 
* molecular weight:
 
* molecular weight:
−
** 983.77    
+
** 276.347    
 
* Synonym(s):
 
* Synonym(s):
−
** HIP-CoA
+
** 3-(7'-methylthio)heptylmalic acid
  
 
== Reaction(s) known to consume the compound ==
 
== Reaction(s) known to consume the compound ==
−
* [[RXN-12747]]
+
* [[RXNQT-4178]]
 
== Reaction(s) known to produce the compound ==
 
== Reaction(s) known to produce the compound ==
 
== Reaction(s) of unknown directionality ==
 
== Reaction(s) of unknown directionality ==
 +
* [[RXN-18200]]
 
== External links  ==
 
== External links  ==
 
* PUBCHEM:
 
* PUBCHEM:
−
** [http://pubchem.ncbi.nlm.nih.gov/summary/summary.cgi?cid=86289539 86289539]
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** [http://pubchem.ncbi.nlm.nih.gov/summary/summary.cgi?cid=44237172 44237172]
−
* CHEBI:
+
{{#set: smiles=CSCCCCCCCC(C(O)C(=O)[O-])C(=O)[O-]}}
−
** [http://www.ebi.ac.uk/chebi/searchId.do?chebiId=78357 78357]
+
{{#set: common name=3-(7'-methylthio)heptylmalate}}
−
{{#set: smiles=CC(C)(C(O)C(=O)NCCC(=O)NCCSC(=O)CCC1(C(=O)CCC2(C)(C(=O)CC[CH]12)))COP(=O)(OP(=O)(OCC3(C(OP([O-])(=O)[O-])C(O)C(O3)N5(C4(=C(C(N)=NC=N4)N=C5))))[O-])[O-]}}
+
{{#set: inchi key=InChIKey=SXLJFGXGVBWOOB-UHFFFAOYSA-L}}
−
{{#set: common name=3-[(3aS,4S,7aS)-7a-methyl-1,5-dioxo-octahydro-1H-inden-4-yl]propanoyl-CoA}}
+
{{#set: molecular weight=276.347   }}
−
{{#set: inchi key=InChIKey=IWNWMTZIJPUDPV-MDQHZGBLSA-J}}
+
{{#set: common name=3-(7'-methylthio)heptylmalic acid}}
−
{{#set: molecular weight=983.77   }}
+
{{#set: consumed by=RXNQT-4178}}
−
{{#set: common name=HIP-CoA}}
+
{{#set: reversible reaction associated=RXN-18200}}
−
{{#set: consumed by=RXN-12747}}
+

Latest revision as of 20:23, 21 March 2018

Metabolite CPDQT-40

  • smiles:
    • CSCCCCCCCC(C(O)C(=O)[O-])C(=O)[O-]
  • common name:
    • 3-(7'-methylthio)heptylmalate
  • inchi key:
    • InChIKey=SXLJFGXGVBWOOB-UHFFFAOYSA-L
  • molecular weight:
    • 276.347
  • Synonym(s):
    • 3-(7'-methylthio)heptylmalic acid

Reaction(s) known to consume the compound

Reaction(s) known to produce the compound

Reaction(s) of unknown directionality

External links

"CSCCCCCCCC(C(O)C(=O)[O-])C(=O)[O-" cannot be used as a page name in this wiki.




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