Difference between revisions of "CPD1F-136"

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(Created page with "Category:Metabolite == Metabolite [http://metacyc.org/META/NEW-IMAGE?object=CPD-4573 CPD-4573] == * smiles: ** CC(C)=CCCC([CH]1(C2(C)(C(C=O)(CC1)C4(=C(CC2)C3([CH](C(C)(C)C...")
(Created page with "Category:Metabolite == Metabolite [http://metacyc.org/META/NEW-IMAGE?object=CPD1F-136 CPD1F-136] == * smiles: ** C=C1(C4(CC[CH]3(C(C1)(C(O)C[CH]2(C(C([O-])=O)(C)CCCC(C)23)...")
 
(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=CPD-4573 CPD-4573] ==
+
== Metabolite [http://metacyc.org/META/NEW-IMAGE?object=CPD1F-136 CPD1F-136] ==
 
* smiles:
 
* smiles:
** CC(C)=CCCC([CH]1(C2(C)(C(C=O)(CC1)C4(=C(CC2)C3([CH](C(C)(C)C(O)CC3)CC4)(C)))))C
+
** C=C1(C4(CC[CH]3(C(C1)(C(O)C[CH]2(C(C([O-])=O)(C)CCCC(C)23))C4)))
* inchi key:
+
** InChIKey=PGGIMLIQOHYFIS-PUXRVUTHSA-N
+
 
* common name:
 
* common name:
** 14-oxolanosterol
+
** ent-7α-hydroxykaur-16-en-19-oate
 +
* inchi key:
 +
** InChIKey=KMLXVEXJZSTMBV-YDIYEOSVSA-M
 
* molecular weight:
 
* molecular weight:
** 440.708    
+
** 317.447    
 
* Synonym(s):
 
* Synonym(s):
** 14-oxo-lanosterol
+
** ent-7-α-hydroxykaurenoate
** 4,4-dimethyl-14α-formyl-5α-cholesta-8,24-dien-3β-ol
+
** ent-7-α-hydroxykaurenoic acid
 +
** 7-hydroxy-kaurenoic acid
  
 
== Reaction(s) known to consume the compound ==
 
== Reaction(s) known to consume the compound ==
* [[RXN66-305]]
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* [[RXN1F-160]]
 
== Reaction(s) known to produce the compound ==
 
== Reaction(s) known to produce the compound ==
* [[RXN66-304]]
+
* [[1.14.13.79-RXN]]
 
== Reaction(s) of unknown directionality ==
 
== Reaction(s) of unknown directionality ==
 
== External links  ==
 
== External links  ==
 +
* LIPID_MAPS : LMPR0104540005
 
* PUBCHEM:
 
* PUBCHEM:
** [http://pubchem.ncbi.nlm.nih.gov/summary/summary.cgi?cid=21121725 21121725]
+
** [http://pubchem.ncbi.nlm.nih.gov/summary/summary.cgi?cid=25200352 25200352]
{{#set: smiles=CC(C)=CCCC([CH]1(C2(C)(C(C=O)(CC1)C4(=C(CC2)C3([CH](C(C)(C)C(O)CC3)CC4)(C)))))C}}
+
* CHEBI:
{{#set: inchi key=InChIKey=PGGIMLIQOHYFIS-PUXRVUTHSA-N}}
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** [http://www.ebi.ac.uk/chebi/searchId.do?chebiId=57298 57298]
{{#set: common name=14-oxolanosterol}}
+
* LIGAND-CPD:
{{#set: molecular weight=440.708   }}
+
** [http://www.genome.jp/dbget-bin/www_bget?C11875 C11875]
{{#set: common name=14-oxo-lanosterol|4,4-dimethyl-14α-formyl-5α-cholesta-8,24-dien-3β-ol}}
+
{{#set: smiles=C=C1(C4(CC[CH]3(C(C1)(C(O)C[CH]2(C(C([O-])=O)(C)CCCC(C)23))C4)))}}
{{#set: consumed by=RXN66-305}}
+
{{#set: common name=ent-7α-hydroxykaur-16-en-19-oate}}
{{#set: produced by=RXN66-304}}
+
{{#set: inchi key=InChIKey=KMLXVEXJZSTMBV-YDIYEOSVSA-M}}
 +
{{#set: molecular weight=317.447   }}
 +
{{#set: common name=ent-7-α-hydroxykaurenoate|ent-7-α-hydroxykaurenoic acid|7-hydroxy-kaurenoic acid}}
 +
{{#set: consumed by=RXN1F-160}}
 +
{{#set: produced by=1.14.13.79-RXN}}

Latest revision as of 19:11, 21 March 2018

Metabolite CPD1F-136

  • smiles:
    • C=C1(C4(CC[CH]3(C(C1)(C(O)C[CH]2(C(C([O-])=O)(C)CCCC(C)23))C4)))
  • common name:
    • ent-7α-hydroxykaur-16-en-19-oate
  • inchi key:
    • InChIKey=KMLXVEXJZSTMBV-YDIYEOSVSA-M
  • molecular weight:
    • 317.447
  • Synonym(s):
    • ent-7-α-hydroxykaurenoate
    • ent-7-α-hydroxykaurenoic acid
    • 7-hydroxy-kaurenoic acid

Reaction(s) known to consume the compound

Reaction(s) known to produce the compound

Reaction(s) of unknown directionality

External links

"C=C1(C4(CC[CH]3(C(C1)(C(O)C[CH]2(C(C([O-])=O)(C)CCCC(C)23))C4)))" cannot be used as a page name in this wiki.