Difference between revisions of "CPD-19155"

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(Created page with "Category:Metabolite == Metabolite [http://metacyc.org/META/NEW-IMAGE?object=OBTUSIFOLIOL OBTUSIFOLIOL] == * smiles: ** CC(C)C(=C)CCC(C)[CH]3(CCC4(C)(C2(CC[CH]1(C(C)C(O)CCC...")
(Created page with "Category:Metabolite == Metabolite [http://metacyc.org/META/NEW-IMAGE?object=CPD-17624 CPD-17624] == * smiles: ** CC(C)(C(O)C(=O)NCCC(=O)NCCSC(=O)CCCCCCCC=CCCCCCCCC(=O)[O-]...")
Line 1: Line 1:
 
[[Category:Metabolite]]
 
[[Category:Metabolite]]
== Metabolite [http://metacyc.org/META/NEW-IMAGE?object=OBTUSIFOLIOL OBTUSIFOLIOL] ==
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== Metabolite [http://metacyc.org/META/NEW-IMAGE?object=CPD-17624 CPD-17624] ==
 
* smiles:
 
* smiles:
** CC(C)C(=C)CCC(C)[CH]3(CCC4(C)(C2(CC[CH]1(C(C)C(O)CCC(C)1C=2CCC(C)34))))
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** CC(C)(C(O)C(=O)NCCC(=O)NCCSC(=O)CCCCCCCC=CCCCCCCCC(=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-]
 
* inchi key:
 
* inchi key:
** InChIKey=MMNYKQIDRZNIKT-VSADUBDNSA-N
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** InChIKey=IISWKVFHQLAOMW-BTFUZUOASA-I
 
* common name:
 
* common name:
** obtusifoliol
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** ω-carboxy-(9Z)-octadec-9-enoyl-CoA
 
* molecular weight:
 
* molecular weight:
** 426.724    
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** 1056.928    
 
* Synonym(s):
 
* Synonym(s):
** 4α,14α-dimethyl-5α-ergosta-8,24(28)-dien-3β-ol
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** 18-carboxyl oleoyl-CoA
** 4α,14α-dimethyl-24-methylene-5α-cholesta-8-en-3β-ol
+
  
 
== Reaction(s) known to consume the compound ==
 
== Reaction(s) known to consume the compound ==
* [[OBFOOLor]]
 
* [[1.14.13.70-RXN]]
 
 
== Reaction(s) known to produce the compound ==
 
== Reaction(s) known to produce the compound ==
* [[CYCLOEUCALENOL-CYCLOISOMERASE-RXN]]
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* [[RXN-16418]]
 
== Reaction(s) of unknown directionality ==
 
== Reaction(s) of unknown directionality ==
 
== External links  ==
 
== External links  ==
 
* PUBCHEM:
 
* PUBCHEM:
** [http://pubchem.ncbi.nlm.nih.gov/summary/summary.cgi?cid=65252 65252]
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** [http://pubchem.ncbi.nlm.nih.gov/summary/summary.cgi?cid=91820430 91820430]
* CHEBI:
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{{#set: smiles=CC(C)(C(O)C(=O)NCCC(=O)NCCSC(=O)CCCCCCCC=CCCCCCCCC(=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.ebi.ac.uk/chebi/searchId.do?chebiId=17791 17791]
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{{#set: inchi key=InChIKey=IISWKVFHQLAOMW-BTFUZUOASA-I}}
* LIGAND-CPD:
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{{#set: common name=ω-carboxy-(9Z)-octadec-9-enoyl-CoA}}
** [http://www.genome.jp/dbget-bin/www_bget?C01943 C01943]
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{{#set: molecular weight=1056.928   }}
* HMDB : HMDB01242
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{{#set: common name=18-carboxyl oleoyl-CoA}}
{{#set: smiles=CC(C)C(=C)CCC(C)[CH]3(CCC4(C)(C2(CC[CH]1(C(C)C(O)CCC(C)1C=2CCC(C)34))))}}
+
{{#set: produced by=RXN-16418}}
{{#set: inchi key=InChIKey=MMNYKQIDRZNIKT-VSADUBDNSA-N}}
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{{#set: common name=obtusifoliol}}
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{{#set: molecular weight=426.724   }}
+
{{#set: common name=4α,14α-dimethyl-5α-ergosta-8,24(28)-dien-3β-ol|4α,14α-dimethyl-24-methylene-5α-cholesta-8-en-3β-ol}}
+
{{#set: consumed by=OBFOOLor|1.14.13.70-RXN}}
+
{{#set: produced by=CYCLOEUCALENOL-CYCLOISOMERASE-RXN}}
+

Revision as of 19:56, 18 March 2018

Metabolite CPD-17624

  • smiles:
    • CC(C)(C(O)C(=O)NCCC(=O)NCCSC(=O)CCCCCCCC=CCCCCCCCC(=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-]
  • inchi key:
    • InChIKey=IISWKVFHQLAOMW-BTFUZUOASA-I
  • common name:
    • ω-carboxy-(9Z)-octadec-9-enoyl-CoA
  • molecular weight:
    • 1056.928
  • Synonym(s):
    • 18-carboxyl oleoyl-CoA

Reaction(s) known to consume the compound

Reaction(s) known to produce the compound

Reaction(s) of unknown directionality

External links

"CC(C)(C(O)C(=O)NCCC(=O)NCCSC(=O)CCCCCCCC=CCCCCCCCC(=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-" cannot be used as a page name in this wiki.