Difference between revisions of "CPD-16001"

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(Created page with "Category:Metabolite == Metabolite [http://metacyc.org/META/NEW-IMAGE?object=FERULIC-ACID FERULIC-ACID] == * smiles: ** COC1(=CC(C=CC([O-])=O)=CC=C(O)1) * inchi key: ** InC...")
(Created page with "Category:Metabolite == Metabolite [http://metacyc.org/META/NEW-IMAGE?object=CPD-16001 CPD-16001] == * smiles: ** CCCCC=CCCCCCCCCCC(=O)SCCNC(=O)CCNC(=O)C(O)C(C)(C)COP(=O)(O...")
 
(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=FERULIC-ACID FERULIC-ACID] ==
+
== Metabolite [http://metacyc.org/META/NEW-IMAGE?object=CPD-16001 CPD-16001] ==
 
* smiles:
 
* smiles:
** COC1(=CC(C=CC([O-])=O)=CC=C(O)1)
+
** CCCCC=CCCCCCCCCCC(=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=KSEBMYQBYZTDHS-HWKANZROSA-M
+
 
* common name:
 
* common name:
** ferulate
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** (11Z)-hexadecenoyl-CoA
 +
* inchi key:
 +
** InChIKey=LFNOUYUFXGXNNP-UBPKJMQESA-J
 
* molecular weight:
 
* molecular weight:
** 193.179    
+
** 999.899    
 
* Synonym(s):
 
* Synonym(s):
** ferulic acid
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** (Z)-hexadec-11-enyl-CoA
** 3-methoxy-4-hydroxycinnamic acid
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** caffeic acid 3-methyl ether
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** 4-hydroxy-3-methoxycinnamic acid
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** 3-methoxy-4-hydroxy-trans-cinnamate
+
  
 
== Reaction(s) known to consume the compound ==
 
== Reaction(s) known to consume the compound ==
* [[6.2.1.34-RXN]]
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* [[RXN-16557]]
* [[RXN-1121]]
+
 
== Reaction(s) known to produce the compound ==
 
== Reaction(s) known to produce the compound ==
* [[RXN-1104]]
 
 
== Reaction(s) of unknown directionality ==
 
== Reaction(s) of unknown directionality ==
 
== External links  ==
 
== External links  ==
* CAS : 1135-24-6
 
 
* PUBCHEM:
 
* PUBCHEM:
** [http://pubchem.ncbi.nlm.nih.gov/summary/summary.cgi?cid=54691413 54691413]
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** [http://pubchem.ncbi.nlm.nih.gov/summary/summary.cgi?cid=90657952 90657952]
* HMDB : HMDB00954
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* LIGAND-CPD:
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** [http://www.genome.jp/dbget-bin/www_bget?C01494 C01494]
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* CHEMSPIDER:
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** [http://www.chemspider.com/Chemical-Structure.4573888.html 4573888]
+
 
* CHEBI:
 
* CHEBI:
** [http://www.ebi.ac.uk/chebi/searchId.do?chebiId=29749 29749]
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** [http://www.ebi.ac.uk/chebi/searchId.do?chebiId=86120 86120]
* METABOLIGHTS : MTBLC29749
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{{#set: smiles=CCCCC=CCCCCCCCCCC(=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: smiles=COC1(=CC(C=CC([O-])=O)=CC=C(O)1)}}
+
{{#set: common name=(11Z)-hexadecenoyl-CoA}}
{{#set: inchi key=InChIKey=KSEBMYQBYZTDHS-HWKANZROSA-M}}
+
{{#set: inchi key=InChIKey=LFNOUYUFXGXNNP-UBPKJMQESA-J}}
{{#set: common name=ferulate}}
+
{{#set: molecular weight=999.899   }}
{{#set: molecular weight=193.179   }}
+
{{#set: common name=(Z)-hexadec-11-enyl-CoA}}
{{#set: common name=ferulic acid|3-methoxy-4-hydroxycinnamic acid|caffeic acid 3-methyl ether|4-hydroxy-3-methoxycinnamic acid|3-methoxy-4-hydroxy-trans-cinnamate}}
+
{{#set: consumed by=RXN-16557}}
{{#set: consumed by=6.2.1.34-RXN|RXN-1121}}
+
{{#set: produced by=RXN-1104}}
+

Latest revision as of 19:30, 21 March 2018

Metabolite CPD-16001

  • smiles:
    • CCCCC=CCCCCCCCCCC(=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:
    • (11Z)-hexadecenoyl-CoA
  • inchi key:
    • InChIKey=LFNOUYUFXGXNNP-UBPKJMQESA-J
  • molecular weight:
    • 999.899
  • Synonym(s):
    • (Z)-hexadec-11-enyl-CoA

Reaction(s) known to consume the compound

Reaction(s) known to produce the compound

Reaction(s) of unknown directionality

External links

"CCCCC=CCCCCCCCCCC(=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.