Difference between revisions of "Ec-25 000920"

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(Created page with "Category:Metabolite == Metabolite [http://metacyc.org/META/NEW-IMAGE?object=CPD1G-332 CPD1G-332] == * smiles: ** CCCCCCCCCCCCCCCCCCCCCCCCC(C([O-])=O)C(SCCNC(=O)CCNC(=O)C(O...")
 
(Created page with "Category:Metabolite == Metabolite [http://metacyc.org/META/NEW-IMAGE?object=HOMO-CIT HOMO-CIT] == * smiles: ** C(C([O-])=O)CC(O)(C([O-])=O)CC([O-])=O * inchi key: ** InChI...")
Line 1: Line 1:
 
[[Category:Metabolite]]
 
[[Category:Metabolite]]
−
== Metabolite [http://metacyc.org/META/NEW-IMAGE?object=CPD1G-332 CPD1G-332] ==
+
== Metabolite [http://metacyc.org/META/NEW-IMAGE?object=HOMO-CIT HOMO-CIT] ==
 
* smiles:
 
* smiles:
−
** CCCCCCCCCCCCCCCCCCCCCCCCC(C([O-])=O)C(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
+
** C(C([O-])=O)CC(O)(C([O-])=O)CC([O-])=O
 
* inchi key:
 
* inchi key:
−
** InChIKey=VUYDEKMWDHLSSI-RVNPWDOLSA-I
+
** InChIKey=XKJVEVRQMLKSMO-SSDOTTSWSA-K
 
* common name:
 
* common name:
−
** 2-carboxy-cerotoyl-CoA
+
** (2R)-homocitrate
 
* molecular weight:
 
* molecular weight:
−
** 1185.185    
+
** 203.128    
 
* Synonym(s):
 
* Synonym(s):
 +
** 2-hydroxybutane-1,2,4-tricarboxylate
 +
** homocitric acid
 +
** 3-hydroxy-3-carboxyadipic acid
 +
** (2R)-2-hydroxybutane-1,2,4-tricarboxylate
 +
** (R)-2-hydroxybutane-1,2,4-tricarboxylate
 +
** homocitrate
 +
** (R)-homocitrate
  
 
== Reaction(s) known to consume the compound ==
 
== Reaction(s) known to consume the compound ==
 +
* [[RXN3O-1983]]
 
== Reaction(s) known to produce the compound ==
 
== Reaction(s) known to produce the compound ==
−
* [[RXN1G-4355]]
 
 
== Reaction(s) of unknown directionality ==
 
== Reaction(s) of unknown directionality ==
 +
* [[RXN-13722]]
 
== External links  ==
 
== External links  ==
 +
* CAS : 3562-74-1
 
* PUBCHEM:
 
* PUBCHEM:
−
** [http://pubchem.ncbi.nlm.nih.gov/summary/summary.cgi?cid=46173201 46173201]
+
** [http://pubchem.ncbi.nlm.nih.gov/summary/summary.cgi?cid=20849228 20849228]
 +
* HMDB : HMDB03518
 +
* LIGAND-CPD:
 +
** [http://www.genome.jp/dbget-bin/www_bget?C01251 C01251]
 +
* CHEMSPIDER:
 +
** [http://www.chemspider.com/Chemical-Structure.20171681.html 20171681]
 
* CHEBI:
 
* CHEBI:
−
** [http://www.ebi.ac.uk/chebi/searchId.do?chebiId=83578 83578]
+
** [http://www.ebi.ac.uk/chebi/searchId.do?chebiId=58884 58884]
−
{{#set: smiles=CCCCCCCCCCCCCCCCCCCCCCCCC(C([O-])=O)C(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(C([O-])=O)CC(O)(C([O-])=O)CC([O-])=O}}
−
{{#set: inchi key=InChIKey=VUYDEKMWDHLSSI-RVNPWDOLSA-I}}
+
{{#set: inchi key=InChIKey=XKJVEVRQMLKSMO-SSDOTTSWSA-K}}
−
{{#set: common name=2-carboxy-cerotoyl-CoA}}
+
{{#set: common name=(2R)-homocitrate}}
−
{{#set: molecular weight=1185.185   }}
+
{{#set: molecular weight=203.128   }}
−
{{#set: produced by=RXN1G-4355}}
+
{{#set: common name=2-hydroxybutane-1,2,4-tricarboxylate|homocitric acid|3-hydroxy-3-carboxyadipic acid|(2R)-2-hydroxybutane-1,2,4-tricarboxylate|(R)-2-hydroxybutane-1,2,4-tricarboxylate|homocitrate|(R)-homocitrate}}
 +
{{#set: consumed by=RXN3O-1983}}
 +
{{#set: reversible reaction associated=RXN-13722}}

Revision as of 21:34, 17 March 2018

Metabolite HOMO-CIT

  • smiles:
    • C(C([O-])=O)CC(O)(C([O-])=O)CC([O-])=O
  • inchi key:
    • InChIKey=XKJVEVRQMLKSMO-SSDOTTSWSA-K
  • common name:
    • (2R)-homocitrate
  • molecular weight:
    • 203.128
  • Synonym(s):
    • 2-hydroxybutane-1,2,4-tricarboxylate
    • homocitric acid
    • 3-hydroxy-3-carboxyadipic acid
    • (2R)-2-hydroxybutane-1,2,4-tricarboxylate
    • (R)-2-hydroxybutane-1,2,4-tricarboxylate
    • homocitrate
    • (R)-homocitrate

Reaction(s) known to consume the compound

Reaction(s) known to produce the compound

Reaction(s) of unknown directionality

External links

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




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