Difference between revisions of "CPD-19161"

From metabolic_network
Jump to: navigation, search
(Created page with "Category:Metabolite == Metabolite [http://metacyc.org/META/NEW-IMAGE?object=SORBITOL SORBITOL] == * smiles: ** C(C(C(C(C(CO)O)O)O)O)O * inchi key: ** InChIKey=FBPFZTCFMRRE...")
 
(Created page with "Category:Metabolite == Metabolite [http://metacyc.org/META/NEW-IMAGE?object=CPD-19161 CPD-19161] == * smiles: ** CCCCCCC=CCCCC=CC(=O)SCCNC(=O)CCNC(=O)C(O)C(C)(C)COP(=O)(OP...")
 
(2 intermediate revisions by the same user not shown)
Line 1: Line 1:
 
[[Category:Metabolite]]
 
[[Category:Metabolite]]
== Metabolite [http://metacyc.org/META/NEW-IMAGE?object=SORBITOL SORBITOL] ==
+
== Metabolite [http://metacyc.org/META/NEW-IMAGE?object=CPD-19161 CPD-19161] ==
 
* smiles:
 
* smiles:
** C(C(C(C(C(CO)O)O)O)O)O
+
** CCCCCCC=CCCCC=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:
 
* inchi key:
** InChIKey=FBPFZTCFMRRESA-JGWLITMVSA-N
+
** InChIKey=MWKSUVQQMPJTPP-DTPVMWFYSA-J
 
* common name:
 
* common name:
** D-sorbitol
+
** (2E,7Z)-tetradecenoyl-CoA
 
* molecular weight:
 
* molecular weight:
** 182.173    
+
** 969.83    
 
* Synonym(s):
 
* Synonym(s):
** L-gulitol
+
** 14:2-Δ2,Δ7-CoA
** D-glucitol
+
** 2-trans,7-cis-tetradecenoyl-CoA
** meglumine
+
** iso-sorbide
+
  
 
== Reaction(s) known to consume the compound ==
 
== Reaction(s) known to consume the compound ==
 +
* [[RXN-17793]]
 
== Reaction(s) known to produce the compound ==
 
== Reaction(s) known to produce the compound ==
 +
* [[RXN-17792]]
 
== Reaction(s) of unknown directionality ==
 
== Reaction(s) of unknown directionality ==
* [[RXN-7644]]
 
 
== External links  ==
 
== External links  ==
* CAS : 50-70-4
+
{{#set: smiles=CCCCCCC=CCCCC=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-]}}
* BIGG : 36018
+
{{#set: inchi key=InChIKey=MWKSUVQQMPJTPP-DTPVMWFYSA-J}}
* DRUGBANK : DB01638
+
{{#set: common name=(2E,7Z)-tetradecenoyl-CoA}}
* PUBCHEM:
+
{{#set: molecular weight=969.83   }}
** [http://pubchem.ncbi.nlm.nih.gov/summary/summary.cgi?cid=5780 5780]
+
{{#set: common name=14:2-Δ2,Δ7-CoA|2-trans,7-cis-tetradecenoyl-CoA}}
* HMDB : HMDB00247
+
{{#set: consumed by=RXN-17793}}
* LIGAND-CPD:
+
{{#set: produced by=RXN-17792}}
** [http://www.genome.jp/dbget-bin/www_bget?C00794 C00794]
+
* CHEMSPIDER:
+
** [http://www.chemspider.com/Chemical-Structure.5576.html 5576]
+
* CHEBI:
+
** [http://www.ebi.ac.uk/chebi/searchId.do?chebiId=17924 17924]
+
* METABOLIGHTS : MTBLC17924
+
{{#set: smiles=C(C(C(C(C(CO)O)O)O)O)O}}
+
{{#set: inchi key=InChIKey=FBPFZTCFMRRESA-JGWLITMVSA-N}}
+
{{#set: common name=D-sorbitol}}
+
{{#set: molecular weight=182.173   }}
+
{{#set: common name=L-gulitol|D-glucitol|meglumine|iso-sorbide}}
+
{{#set: consumed or produced by=RXN-7644}}
+

Latest revision as of 19:24, 21 March 2018

Metabolite CPD-19161

  • smiles:
    • CCCCCCC=CCCCC=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=MWKSUVQQMPJTPP-DTPVMWFYSA-J
  • common name:
    • (2E,7Z)-tetradecenoyl-CoA
  • molecular weight:
    • 969.83
  • Synonym(s):
    • 14:2-Δ2,Δ7-CoA
    • 2-trans,7-cis-tetradecenoyl-CoA

Reaction(s) known to consume the compound

Reaction(s) known to produce the compound

Reaction(s) of unknown directionality

External links

"CCCCCCC=CCCCC=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.