Difference between revisions of "CPD-15977"

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(Created page with "Category:Metabolite == Metabolite [http://metacyc.org/META/NEW-IMAGE?object=GLUTARYL-COA GLUTARYL-COA] == * smiles: ** CC(C)(C(O)C(=O)NCCC(=O)NCCSC(CCCC(=O)[O-])=O)COP(=O)...")
(Created page with "Category:Metabolite == Metabolite [http://metacyc.org/META/NEW-IMAGE?object=CPD-15977 CPD-15977] == * smiles: ** CCCCCCCCC=CCCCCCCCC(=O)OCC(CO)OC(CCCCCCCC=CCCCCCCCC)=O * c...")
 
(2 intermediate revisions by the same user not shown)
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[[Category:Metabolite]]
 
[[Category:Metabolite]]
−
== Metabolite [http://metacyc.org/META/NEW-IMAGE?object=GLUTARYL-COA GLUTARYL-COA] ==
+
== Metabolite [http://metacyc.org/META/NEW-IMAGE?object=CPD-15977 CPD-15977] ==
 
* smiles:
 
* smiles:
−
** CC(C)(C(O)C(=O)NCCC(=O)NCCSC(CCCC(=O)[O-])=O)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(=O)OCC(CO)OC(CCCCCCCC=CCCCCCCCC)=O
−
* inchi key:
+
−
** InChIKey=SYKWLIJQEHRDNH-CKRMAKSASA-I
+
 
* common name:
 
* common name:
−
** glutaryl-CoA
+
** 1,2-dioleoylglycerol
 +
* inchi key:
 +
** InChIKey=AFSHUZFNMVJNKX-LLWMBOQKSA-N
 
* molecular weight:
 
* molecular weight:
−
** 876.595    
+
** 620.995    
 
* Synonym(s):
 
* Synonym(s):
−
** glutaryl-coenzyme A
+
** dioleoyl-sn-glycerol
−
** 4-carboxybutanoyl-CoA
+
** diolein
 +
** 1,2-dioleoyl-DL-glycerol
 +
** 9-octadecenoic acid, 1-(hydroxymethyl)-1,2-ethanediyl ester, (9Z,9'Z)-
 +
** glycerol dioleate
 +
** 1,2-diolein
  
 
== Reaction(s) known to consume the compound ==
 
== Reaction(s) known to consume the compound ==
 
== Reaction(s) known to produce the compound ==
 
== Reaction(s) known to produce the compound ==
−
* [[2-KETO-ADIPATE-DEHYDROG-RXN]]
+
* [[RXN-15090]]
 
== Reaction(s) of unknown directionality ==
 
== Reaction(s) of unknown directionality ==
−
* [[RXN-8032]]
 
 
== External links  ==
 
== External links  ==
−
* LIGAND-CPD:
+
* LIPID_MAPS : LMGL02010049
−
** [http://www.genome.jp/dbget-bin/www_bget?C00527 C00527]
+
−
* CHEBI:
+
−
** [http://www.ebi.ac.uk/chebi/searchId.do?chebiId=57378 57378]
+
−
* METABOLIGHTS : MTBLC57378
+
 
* PUBCHEM:
 
* PUBCHEM:
−
** [http://pubchem.ncbi.nlm.nih.gov/summary/summary.cgi?cid=45266604 45266604]
+
** [http://pubchem.ncbi.nlm.nih.gov/summary/summary.cgi?cid=9543716 9543716]
−
* HMDB : HMDB01339
+
* CHEMSPIDER:
−
{{#set: smiles=CC(C)(C(O)C(=O)NCCC(=O)NCCSC(CCCC(=O)[O-])=O)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://www.chemspider.com/Chemical-Structure.4593734.html 4593734]
−
{{#set: inchi key=InChIKey=SYKWLIJQEHRDNH-CKRMAKSASA-I}}
+
* CHEBI:
−
{{#set: common name=glutaryl-CoA}}
+
** [http://www.ebi.ac.uk/chebi/searchId.do?chebiId=52333 52333]
−
{{#set: molecular weight=876.595   }}
+
{{#set: smiles=CCCCCCCCC=CCCCCCCCC(=O)OCC(CO)OC(CCCCCCCC=CCCCCCCCC)=O}}
−
{{#set: common name=glutaryl-coenzyme A|4-carboxybutanoyl-CoA}}
+
{{#set: common name=1,2-dioleoylglycerol}}
−
{{#set: produced by=2-KETO-ADIPATE-DEHYDROG-RXN}}
+
{{#set: inchi key=InChIKey=AFSHUZFNMVJNKX-LLWMBOQKSA-N}}
−
{{#set: consumed or produced by=RXN-8032}}
+
{{#set: molecular weight=620.995   }}
 +
{{#set: common name=dioleoyl-sn-glycerol|diolein|1,2-dioleoyl-DL-glycerol|9-octadecenoic acid, 1-(hydroxymethyl)-1,2-ethanediyl ester, (9Z,9'Z)-|glycerol dioleate|1,2-diolein}}
 +
{{#set: produced by=RXN-15090}}

Latest revision as of 19:19, 21 March 2018

Metabolite CPD-15977

  • smiles:
    • CCCCCCCCC=CCCCCCCCC(=O)OCC(CO)OC(CCCCCCCC=CCCCCCCCC)=O
  • common name:
    • 1,2-dioleoylglycerol
  • inchi key:
    • InChIKey=AFSHUZFNMVJNKX-LLWMBOQKSA-N
  • molecular weight:
    • 620.995
  • Synonym(s):
    • dioleoyl-sn-glycerol
    • diolein
    • 1,2-dioleoyl-DL-glycerol
    • 9-octadecenoic acid, 1-(hydroxymethyl)-1,2-ethanediyl ester, (9Z,9'Z)-
    • glycerol dioleate
    • 1,2-diolein

Reaction(s) known to consume the compound

Reaction(s) known to produce the compound

Reaction(s) of unknown directionality

External links




Retrieved from "http://gem-aureme.irisa.fr/tisogem/index.php?title=CPD-15977&oldid=40853"