Difference between revisions of "CPD-19144"

From metabolic_network
Jump to: navigation, search
(Created page with "Category:Metabolite == Metabolite [http://metacyc.org/META/NEW-IMAGE?object=DODECANOATE DODECANOATE] == * smiles: ** CCCCCCCCCCCC([O-])=O * inchi key: ** InChIKey=POULHZVO...")
(Created page with "Category:Metabolite == Metabolite [http://metacyc.org/META/NEW-IMAGE?object=CPD-19144 CPD-19144] == * smiles: ** CCCCCCCCC=CCCCCCC(=O)SCCNC(=O)CCNC(=O)C(O)C(C)(C)COP(=O)(O...")
 
(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=DODECANOATE DODECANOATE] ==
+
== Metabolite [http://metacyc.org/META/NEW-IMAGE?object=CPD-19144 CPD-19144] ==
 
* smiles:
 
* smiles:
** CCCCCCCCCCCC([O-])=O
+
** CCCCCCCCC=CCCCCCC(=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=POULHZVOKOAJMA-UHFFFAOYSA-M
+
 
* common name:
 
* common name:
** laurate
+
** (7Z)-hexadecenoyl-CoA
 +
* inchi key:
 +
** InChIKey=MJWMOLDKMBISOB-YDGGZUKGSA-J
 
* molecular weight:
 
* molecular weight:
** 199.312    
+
** 999.899    
 
* Synonym(s):
 
* Synonym(s):
** n-dodecanoic acid
+
** cis-hexadec-7-enoyl-CoA
** dodecanoic acid
+
** (7Z)-hexadec-7-enoyl-CoA
** lauric acid
+
** 16:1 cis-7
** tin II 2-ethylhexanoate
+
** 16:1(n-9)
** dodecanoate
+
  
 
== Reaction(s) known to consume the compound ==
 
== Reaction(s) known to consume the compound ==
* [[RXN-16393]]
+
* [[RXN-17779]]
 
== Reaction(s) known to produce the compound ==
 
== Reaction(s) known to produce the compound ==
* [[RXN-9627]]
+
* [[RXN-17778]]
* [[3.1.2.21-RXN]]
+
 
== Reaction(s) of unknown directionality ==
 
== Reaction(s) of unknown directionality ==
 
== External links  ==
 
== External links  ==
* NCI:
+
{{#set: smiles=CCCCCCCCC=CCCCCCC(=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-]}}
** [http://cactus.nci.nih.gov/ncidb2.2/?nsc=5026 5026]
+
{{#set: common name=(7Z)-hexadecenoyl-CoA}}
* CAS : 143-07-7
+
{{#set: inchi key=InChIKey=MJWMOLDKMBISOB-YDGGZUKGSA-J}}
* PUBCHEM:
+
{{#set: molecular weight=999.899   }}
** [http://pubchem.ncbi.nlm.nih.gov/summary/summary.cgi?cid=4149208 4149208]
+
{{#set: common name=cis-hexadec-7-enoyl-CoA|(7Z)-hexadec-7-enoyl-CoA|16:1 cis-7|16:1(n-9)}}
* HMDB : HMDB00638
+
{{#set: consumed by=RXN-17779}}
* LIGAND-CPD:
+
{{#set: produced by=RXN-17778}}
** [http://www.genome.jp/dbget-bin/www_bget?C02679 C02679]
+
* CHEMSPIDER:
+
** [http://www.chemspider.com/Chemical-Structure.3361474.html 3361474]
+
* CHEBI:
+
** [http://www.ebi.ac.uk/chebi/searchId.do?chebiId=18262 18262]
+
* METABOLIGHTS : MTBLC18262
+
{{#set: smiles=CCCCCCCCCCCC([O-])=O}}
+
{{#set: inchi key=InChIKey=POULHZVOKOAJMA-UHFFFAOYSA-M}}
+
{{#set: common name=laurate}}
+
{{#set: molecular weight=199.312   }}
+
{{#set: common name=n-dodecanoic acid|dodecanoic acid|lauric acid|tin II 2-ethylhexanoate|dodecanoate}}
+
{{#set: consumed by=RXN-16393}}
+
{{#set: produced by=RXN-9627|3.1.2.21-RXN}}
+

Latest revision as of 21:08, 21 March 2018

Metabolite CPD-19144

  • smiles:
    • CCCCCCCCC=CCCCCCC(=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-]
  • common name:
    • (7Z)-hexadecenoyl-CoA
  • inchi key:
    • InChIKey=MJWMOLDKMBISOB-YDGGZUKGSA-J
  • molecular weight:
    • 999.899
  • Synonym(s):
    • cis-hexadec-7-enoyl-CoA
    • (7Z)-hexadec-7-enoyl-CoA
    • 16:1 cis-7
    • 16:1(n-9)

Reaction(s) known to consume the compound

Reaction(s) known to produce the compound

Reaction(s) of unknown directionality

External links

"CCCCCCCCC=CCCCCCC(=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.