Difference between revisions of "CPD-19148"

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(Created page with "Category:Metabolite == Metabolite [http://metacyc.org/META/NEW-IMAGE?object=CPD-676 CPD-676] == * smiles: ** C([O-])(=O)C=CC1(C=C(O)C(O)=CC=1) * inchi key: ** InChIKey=QAI...")
(Created page with "Category:Metabolite == Metabolite [http://metacyc.org/META/NEW-IMAGE?object=CPD-19148 CPD-19148] == * smiles: ** CCCCCCC=CCCCC(=O)SCCNC(=O)CCNC(=O)C(O)C(C)(C)COP(=O)(OP(=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=CPD-676 CPD-676] ==
+
== Metabolite [http://metacyc.org/META/NEW-IMAGE?object=CPD-19148 CPD-19148] ==
 
* smiles:
 
* smiles:
−
** C([O-])(=O)C=CC1(C=C(O)C(O)=CC=1)
+
** CCCCCCC=CCCCC(=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=QAIPRVGONGVQAS-DUXPYHPUSA-M
+
 
* common name:
 
* common name:
−
** trans-caffeate
+
** (5Z)-dodecenoyl-CoA
 +
* inchi key:
 +
** InChIKey=RCVJZGBRLGUTKT-CGGPSVLLSA-J
 
* molecular weight:
 
* molecular weight:
−
** 179.152    
+
** 943.792    
 
* Synonym(s):
 
* Synonym(s):
−
** trans-caffeic acid
+
** 12:1-Δ5-CoA
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** 3,4-dihydroxy-trans-cinnamate
+
** cis-5-tetradecenoyl-CoA
−
** (2E)-3-(3,4-dihydroxyphenyl)prop-2-enoic acid
+
** 12:1(n-7)-CoA
 +
** (5Z)-tetradec-5-enoyl-CoA
  
 
== Reaction(s) known to consume the compound ==
 
== Reaction(s) known to consume the compound ==
−
* [[RXN-1126]]
+
* [[RXN-17796]]
−
* [[RXN-1104]]
+
 
== Reaction(s) known to produce the compound ==
 
== Reaction(s) known to produce the compound ==
 +
* [[RXN-17795]]
 
== Reaction(s) of unknown directionality ==
 
== Reaction(s) of unknown directionality ==
 
== External links  ==
 
== External links  ==
−
* PUBCHEM:
+
{{#set: smiles=CCCCCCC=CCCCC(=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://pubchem.ncbi.nlm.nih.gov/summary/summary.cgi?cid=54691412 54691412]
+
{{#set: common name=(5Z)-dodecenoyl-CoA}}
−
* HMDB : HMDB03501
+
{{#set: inchi key=InChIKey=RCVJZGBRLGUTKT-CGGPSVLLSA-J}}
−
* LIGAND-CPD:
+
{{#set: molecular weight=943.792   }}
−
** [http://www.genome.jp/dbget-bin/www_bget?C01197 C01197]
+
{{#set: common name=12:1-Δ5-CoA|cis-5-tetradecenoyl-CoA|12:1(n-7)-CoA|(5Z)-tetradec-5-enoyl-CoA}}
−
* CHEMSPIDER:
+
{{#set: consumed by=RXN-17796}}
−
** [http://www.chemspider.com/Chemical-Structure.4450294.html 4450294]
+
{{#set: produced by=RXN-17795}}
−
* CHEBI:
+
−
** [http://www.ebi.ac.uk/chebi/searchId.do?chebiId=57770 57770]
+
−
* METABOLIGHTS : MTBLC57770
+
−
{{#set: smiles=C([O-])(=O)C=CC1(C=C(O)C(O)=CC=1)}}
+
−
{{#set: inchi key=InChIKey=QAIPRVGONGVQAS-DUXPYHPUSA-M}}
+
−
{{#set: common name=trans-caffeate}}
+
−
{{#set: molecular weight=179.152   }}
+
−
{{#set: common name=trans-caffeic acid|3,4-dihydroxy-trans-cinnamate|(2E)-3-(3,4-dihydroxyphenyl)prop-2-enoic acid}}
+
−
{{#set: consumed by=RXN-1126|RXN-1104}}
+

Latest revision as of 21:21, 21 March 2018

Metabolite CPD-19148

  • smiles:
    • CCCCCCC=CCCCC(=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:
    • (5Z)-dodecenoyl-CoA
  • inchi key:
    • InChIKey=RCVJZGBRLGUTKT-CGGPSVLLSA-J
  • molecular weight:
    • 943.792
  • Synonym(s):
    • 12:1-Δ5-CoA
    • cis-5-tetradecenoyl-CoA
    • 12:1(n-7)-CoA
    • (5Z)-tetradec-5-enoyl-CoA

Reaction(s) known to consume the compound

Reaction(s) known to produce the compound

Reaction(s) of unknown directionality

External links

"CCCCCCC=CCCCC(=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.




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