Difference between revisions of "CPD-2187"

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(Created page with "Category:Metabolite == Metabolite [http://metacyc.org/META/NEW-IMAGE?object=CPD-12906 CPD-12906] == * smiles: ** CC(C)=CC(=O)CC(=O)SCCNC(=O)CCNC(=O)C(O)C(C)(C)COP(=O)(OP(=...")
(Created page with "Category:Metabolite == Metabolite [http://metacyc.org/META/NEW-IMAGE?object=CPD-2187 CPD-2187] == * smiles: ** CCCCCCCCC=CCCCCCCCC(OCC(COC1(OC(C(C(C1O)O)O)CO))OC(CCCCCCCCC...")
 
(One intermediate revision by the same user not shown)
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[[Category:Metabolite]]
 
[[Category:Metabolite]]
== Metabolite [http://metacyc.org/META/NEW-IMAGE?object=CPD-12906 CPD-12906] ==
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== Metabolite [http://metacyc.org/META/NEW-IMAGE?object=CPD-2187 CPD-2187] ==
 
* smiles:
 
* smiles:
** CC(C)=CC(=O)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-]
+
** CCCCCCCCC=CCCCCCCCC(OCC(COC1(OC(C(C(C1O)O)O)CO))OC(CCCCCCCCCCCCCCC)=O)=O
 
* inchi key:
 
* inchi key:
** InChIKey=ZFKZVSUJTDSJEY-SVHODSNWSA-J
+
** InChIKey=JBZBYHKCRFIXBI-OTVPKONDSA-N
 
* common name:
 
* common name:
** 5-methyl-3-oxo-4-hexenoyl-CoA
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** 1-18:1-2-16:0-monogalactosyldiacylglycerol
 
* molecular weight:
 
* molecular weight:
** 887.641    
+
** 757.099    
 
* Synonym(s):
 
* Synonym(s):
 +
** 18:1-16:0-MGDG
 +
** 1-(9Z-octadecenoyl)-2-hexadecanoyl-3-O-beta-D-galactosyl-sn-glycerol
  
 
== Reaction(s) known to consume the compound ==
 
== Reaction(s) known to consume the compound ==
* [[RXN-11921]]
 
 
== 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-16027]]
 
== External links  ==
 
== External links  ==
 
* PUBCHEM:
 
* PUBCHEM:
** [http://pubchem.ncbi.nlm.nih.gov/summary/summary.cgi?cid=50986120 50986120]
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** [http://pubchem.ncbi.nlm.nih.gov/summary/summary.cgi?cid=44593354 44593354]
* LIGAND-CPD:
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{{#set: smiles=CCCCCCCCC=CCCCCCCCC(OCC(COC1(OC(C(C(C1O)O)O)CO))OC(CCCCCCCCCCCCCCC)=O)=O}}
** [http://www.genome.jp/dbget-bin/www_bget?C16471 C16471]
+
{{#set: inchi key=InChIKey=JBZBYHKCRFIXBI-OTVPKONDSA-N}}
* HMDB : HMDB60399
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{{#set: common name=1-18:1-2-16:0-monogalactosyldiacylglycerol}}
{{#set: smiles=CC(C)=CC(=O)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-]}}
+
{{#set: molecular weight=757.099   }}
{{#set: inchi key=InChIKey=ZFKZVSUJTDSJEY-SVHODSNWSA-J}}
+
{{#set: common name=18:1-16:0-MGDG|1-(9Z-octadecenoyl)-2-hexadecanoyl-3-O-beta-D-galactosyl-sn-glycerol}}
{{#set: common name=5-methyl-3-oxo-4-hexenoyl-CoA}}
+
{{#set: reversible reaction associated=RXN-16027}}
{{#set: molecular weight=887.641   }}
+
{{#set: consumed by=RXN-11921}}
+

Latest revision as of 19:12, 21 March 2018

Metabolite CPD-2187

  • smiles:
    • CCCCCCCCC=CCCCCCCCC(OCC(COC1(OC(C(C(C1O)O)O)CO))OC(CCCCCCCCCCCCCCC)=O)=O
  • inchi key:
    • InChIKey=JBZBYHKCRFIXBI-OTVPKONDSA-N
  • common name:
    • 1-18:1-2-16:0-monogalactosyldiacylglycerol
  • molecular weight:
    • 757.099
  • Synonym(s):
    • 18:1-16:0-MGDG
    • 1-(9Z-octadecenoyl)-2-hexadecanoyl-3-O-beta-D-galactosyl-sn-glycerol

Reaction(s) known to consume the compound

Reaction(s) known to produce the compound

Reaction(s) of unknown directionality

External links