Difference between revisions of "CPD-637"

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(Created page with "Category:Metabolite == Metabolite [http://metacyc.org/META/NEW-IMAGE?object=OH-HEXANOYL-COA OH-HEXANOYL-COA] == * smiles: ** CCCC(CC(SCCNC(CCNC(C(C(COP(=O)([O-])OP(OCC1(OC...")
(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...")
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[[Category:Metabolite]]
 
[[Category:Metabolite]]
== Metabolite [http://metacyc.org/META/NEW-IMAGE?object=OH-HEXANOYL-COA OH-HEXANOYL-COA] ==
+
== Metabolite [http://metacyc.org/META/NEW-IMAGE?object=OBTUSIFOLIOL OBTUSIFOLIOL] ==
 
* smiles:
 
* smiles:
** CCCC(CC(SCCNC(CCNC(C(C(COP(=O)([O-])OP(OCC1(OC(C(C1OP([O-])([O-])=O)O)N3(C=NC2(C(=NC=NC=23)N))))([O-])=O)(C)C)O)=O)=O)=O)O
+
** CC(C)C(=C)CCC(C)[CH]3(CCC4(C)(C2(CC[CH]1(C(C)C(O)CCC(C)1C=2CCC(C)34))))
 
* inchi key:
 
* inchi key:
** InChIKey=VAAHKRMGOFIORX-DWUFXMDISA-J
+
** InChIKey=MMNYKQIDRZNIKT-VSADUBDNSA-N
 
* common name:
 
* common name:
** (S)-3-hydroxyhexanoyl-CoA
+
** obtusifoliol
 
* molecular weight:
 
* molecular weight:
** 877.646    
+
** 426.724    
 
* Synonym(s):
 
* Synonym(s):
** OH-hexanoyl-CoA
+
** 4α,14α-dimethyl-5α-ergosta-8,24(28)-dien-3β-ol
** 3-OH-hexanoyl-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 ==
* [[RXN-12570]]
+
* [[CYCLOEUCALENOL-CYCLOISOMERASE-RXN]]
 
== Reaction(s) of unknown directionality ==
 
== Reaction(s) of unknown directionality ==
 
== External links  ==
 
== External links  ==
* METABOLIGHTS : MTBLC28276
 
* LIPID_MAPS : LMFA07050017
 
 
* PUBCHEM:
 
* PUBCHEM:
** [http://pubchem.ncbi.nlm.nih.gov/summary/summary.cgi?cid=49859661 49859661]
+
** [http://pubchem.ncbi.nlm.nih.gov/summary/summary.cgi?cid=65252 65252]
* HMDB : HMDB03942
+
* LIGAND-CPD:
+
** [http://www.genome.jp/dbget-bin/www_bget?C05268 C05268]
+
 
* CHEBI:
 
* CHEBI:
** [http://www.ebi.ac.uk/chebi/searchId.do?chebiId=28276 28276]
+
** [http://www.ebi.ac.uk/chebi/searchId.do?chebiId=17791 17791]
* BIGG : 3hhcoa
+
* LIGAND-CPD:
{{#set: smiles=CCCC(CC(SCCNC(CCNC(C(C(COP(=O)([O-])OP(OCC1(OC(C(C1OP([O-])([O-])=O)O)N3(C=NC2(C(=NC=NC=23)N))))([O-])=O)(C)C)O)=O)=O)=O)O}}
+
** [http://www.genome.jp/dbget-bin/www_bget?C01943 C01943]
{{#set: inchi key=InChIKey=VAAHKRMGOFIORX-DWUFXMDISA-J}}
+
* HMDB : HMDB01242
{{#set: common name=(S)-3-hydroxyhexanoyl-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: molecular weight=877.646   }}
+
{{#set: inchi key=InChIKey=MMNYKQIDRZNIKT-VSADUBDNSA-N}}
{{#set: common name=OH-hexanoyl-CoA|3-OH-hexanoyl-CoA}}
+
{{#set: common name=obtusifoliol}}
{{#set: produced by=RXN-12570}}
+
{{#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 18:54, 18 March 2018

Metabolite OBTUSIFOLIOL

  • 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))))
  • inchi key:
    • InChIKey=MMNYKQIDRZNIKT-VSADUBDNSA-N
  • common name:
    • obtusifoliol
  • molecular weight:
    • 426.724
  • Synonym(s):
    • 4α,14α-dimethyl-5α-ergosta-8,24(28)-dien-3β-ol
    • 4α,14α-dimethyl-24-methylene-5α-cholesta-8-en-3β-ol

Reaction(s) known to consume the compound

Reaction(s) known to produce the compound

Reaction(s) of unknown directionality

External links

"CC(C)C(=C)CCC(C)[CH]3(CCC4(C)(C2(CC[CH]1(C(C)C(O)CCC(C)1C=2CCC(C)34))))" cannot be used as a page name in this wiki.