Difference between revisions of "Ec-01 002340"

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(Created page with "Category:Metabolite == Metabolite [http://metacyc.org/META/NEW-IMAGE?object=CPD-4702 CPD-4702] == * smiles: ** CC(C)=CCCC(C)[CH]3(CC[CH]4(C2(CC[CH]1(C(C([O-])=O)C(O)CCC(C)...")
 
(Created page with "Category:Metabolite == Metabolite [http://metacyc.org/META/NEW-IMAGE?object=OLEATE-CPD OLEATE-CPD] == * smiles: ** CCCCCCCCC=CCCCCCCCC([O-])=O * inchi key: ** InChIKey=ZQP...")
Line 1: Line 1:
 
[[Category:Metabolite]]
 
[[Category:Metabolite]]
−
== Metabolite [http://metacyc.org/META/NEW-IMAGE?object=CPD-4702 CPD-4702] ==
+
== Metabolite [http://metacyc.org/META/NEW-IMAGE?object=OLEATE-CPD OLEATE-CPD] ==
 
* smiles:
 
* smiles:
−
** CC(C)=CCCC(C)[CH]3(CC[CH]4(C2(CC[CH]1(C(C([O-])=O)C(O)CCC(C)1C=2CCC(C)34))))
+
** CCCCCCCCC=CCCCCCCCC([O-])=O
 
* inchi key:
 
* inchi key:
−
** InChIKey=JHIWIFRQJXLNEU-GSQAGGHASA-M
+
** InChIKey=ZQPPMHVWECSIRJ-KTKRTIGZSA-M
 
* common name:
 
* common name:
−
** 4α-carboxy-5α-cholesta-8,24-dien-3β-ol
+
** oleate
 
* molecular weight:
 
* molecular weight:
−
** 427.646    
+
** 281.457    
 
* Synonym(s):
 
* Synonym(s):
 +
** oleic acid
 +
** (9Z)-octadec-9-enoate
 +
** (9Z)-octadecenoate
 +
** (9Z)-octadecenoic acid
 +
** (9Z)-octadec-9-enoic acid
 +
** (Z)-octadec-9-enoic acid
 +
** 18:1 n-9
 +
** 18:1Δ9cis
 +
** C18:1 n-9
 +
** cis-9-octadecenoic acid
 +
** cis-Δ9-octadecenoic acid
 +
** cis-oleic acid
 +
** octadec-9-enoic acid
 +
** octadecenoate (n-C18:1)
 +
** 9-octadecenoic acid
  
 
== Reaction(s) known to consume the compound ==
 
== Reaction(s) known to consume the compound ==
−
* [[RXN66-318]]
+
* [[RXN-9644]]
 +
* [[RXN0-7239]]
 
== Reaction(s) known to produce the compound ==
 
== Reaction(s) known to produce the compound ==
 +
* [[RXN-15067]]
 +
* [[RXN-15035]]
 +
* [[RXN-15068]]
 
== Reaction(s) of unknown directionality ==
 
== Reaction(s) of unknown directionality ==
 
== External links  ==
 
== External links  ==
 +
* CAS : 112-80-1
 +
* BIGG : 1451011
 
* PUBCHEM:
 
* PUBCHEM:
−
** [http://pubchem.ncbi.nlm.nih.gov/summary/summary.cgi?cid=90659076 90659076]
+
** [http://pubchem.ncbi.nlm.nih.gov/summary/summary.cgi?cid=5460221 5460221]
−
{{#set: smiles=CC(C)=CCCC(C)[CH]3(CC[CH]4(C2(CC[CH]1(C(C([O-])=O)C(O)CCC(C)1C=2CCC(C)34))))}}
+
* HMDB : HMDB00207
−
{{#set: inchi key=InChIKey=JHIWIFRQJXLNEU-GSQAGGHASA-M}}
+
* LIGAND-CPD:
−
{{#set: common name=4α-carboxy-5α-cholesta-8,24-dien-3β-ol}}
+
** [http://www.genome.jp/dbget-bin/www_bget?C00712 C00712]
−
{{#set: molecular weight=427.646    }}
+
* CHEMSPIDER:
−
{{#set: consumed by=RXN66-318}}
+
** [http://www.chemspider.com/Chemical-Structure.4573837.html 4573837]
 +
* CHEBI:
 +
** [http://www.ebi.ac.uk/chebi/searchId.do?chebiId=30823 30823]
 +
* METABOLIGHTS : MTBLC30823
 +
{{#set: smiles=CCCCCCCCC=CCCCCCCCC([O-])=O}}
 +
{{#set: inchi key=InChIKey=ZQPPMHVWECSIRJ-KTKRTIGZSA-M}}
 +
{{#set: common name=oleate}}
 +
{{#set: molecular weight=281.457    }}
 +
{{#set: common name=oleic acid|(9Z)-octadec-9-enoate|(9Z)-octadecenoate|(9Z)-octadecenoic acid|(9Z)-octadec-9-enoic acid|(Z)-octadec-9-enoic acid|18:1 n-9|18:1Δ9cis|C18:1 n-9|cis-9-octadecenoic acid|cis-Δ9-octadecenoic acid|cis-oleic acid|octadec-9-enoic acid|octadecenoate (n-C18:1)|9-octadecenoic acid}}
 +
{{#set: consumed by=RXN-9644|RXN0-7239}}
 +
{{#set: produced by=RXN-15067|RXN-15035|RXN-15068}}

Revision as of 22:22, 17 March 2018

Metabolite OLEATE-CPD

  • smiles:
    • CCCCCCCCC=CCCCCCCCC([O-])=O
  • inchi key:
    • InChIKey=ZQPPMHVWECSIRJ-KTKRTIGZSA-M
  • common name:
    • oleate
  • molecular weight:
    • 281.457
  • Synonym(s):
    • oleic acid
    • (9Z)-octadec-9-enoate
    • (9Z)-octadecenoate
    • (9Z)-octadecenoic acid
    • (9Z)-octadec-9-enoic acid
    • (Z)-octadec-9-enoic acid
    • 18:1 n-9
    • 18:1Δ9cis
    • C18:1 n-9
    • cis-9-octadecenoic acid
    • cis-Δ9-octadecenoic acid
    • cis-oleic acid
    • octadec-9-enoic acid
    • octadecenoate (n-C18:1)
    • 9-octadecenoic acid

Reaction(s) known to consume the compound

Reaction(s) known to produce the compound

Reaction(s) of unknown directionality

External links

  • CAS : 112-80-1
  • BIGG : 1451011
  • PUBCHEM:
  • HMDB : HMDB00207
  • LIGAND-CPD:
  • CHEMSPIDER:
  • CHEBI:
  • METABOLIGHTS : MTBLC30823
"CCCCCCCCC=CCCCCCCCC([O-])=O" cannot be used as a page name in this wiki.




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