Difference between revisions of "CPD-634"

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(Created page with "Category:Metabolite == Metabolite [http://metacyc.org/META/NEW-IMAGE?object=CPD-17638 CPD-17638] == * smiles: ** CCCCCC(O)CCCCCC(=O)SCCNC(=O)CCNC(=O)C(O)C(C)(C)COP(=O)(OP(...")
 
(Created page with "Category:Metabolite == Metabolite [http://metacyc.org/META/NEW-IMAGE?object=CPD-13524 CPD-13524] == * smiles: ** CC(=CC=CC(C)=CCO)C=CC1(=C(C)CCCC(C)(C)1) * inchi key: ** I...")
Line 1: Line 1:
 
[[Category:Metabolite]]
 
[[Category:Metabolite]]
−
== Metabolite [http://metacyc.org/META/NEW-IMAGE?object=CPD-17638 CPD-17638] ==
+
== Metabolite [http://metacyc.org/META/NEW-IMAGE?object=CPD-13524 CPD-13524] ==
 
* smiles:
 
* smiles:
−
** CCCCCC(O)CCCCCC(=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-]
+
** CC(=CC=CC(C)=CCO)C=CC1(=C(C)CCCC(C)(C)1)
 
* inchi key:
 
* inchi key:
−
** InChIKey=RXEDUSGPUQQZEW-XIRPNGCASA-J
+
** InChIKey=FPIPGXGPPPQFEQ-OVSJKPMPSA-N
 
* common name:
 
* common name:
−
** 7-hydroxylauroyl-CoA
+
** all-trans-retinol
 
* molecular weight:
 
* molecular weight:
−
** 961.807    
+
** 286.456    
 
* Synonym(s):
 
* Synonym(s):
−
** 7-hydroxydodecanoyl-CoA
+
** trans-retinol
 +
** retinol
 +
** vitamin A
 +
** vitamin A1
  
 
== Reaction(s) known to consume the compound ==
 
== Reaction(s) known to consume the compound ==
 +
* [[1.3.99.23-RXN]]
 +
* [[RXN-12547]]
 
== Reaction(s) known to produce the compound ==
 
== Reaction(s) known to produce the compound ==
−
* [[RXN-12184]]
+
* [[RXN-12575]]
 +
* [[3.1.1.64-RXN]]
 +
* [[RXN-12579]]
 
== Reaction(s) of unknown directionality ==
 
== Reaction(s) of unknown directionality ==
 +
* [[RETINOL-DEHYDROGENASE-RXN]]
 
== External links  ==
 
== External links  ==
 +
* DRUGBANK : DB00162
 +
* CAS : 68-26-8
 +
* CAS : 11103-57-4
 +
* Wikipedia : Retinol
 +
* LIPID_MAPS : LMPR01090001
 
* PUBCHEM:
 
* PUBCHEM:
−
** [http://pubchem.ncbi.nlm.nih.gov/summary/summary.cgi?cid=91819849 91819849]
+
** [http://pubchem.ncbi.nlm.nih.gov/summary/summary.cgi?cid=445354 445354]
−
{{#set: smiles=CCCCCC(O)CCCCCC(=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-]}}
+
* HMDB : HMDB00305
−
{{#set: inchi key=InChIKey=RXEDUSGPUQQZEW-XIRPNGCASA-J}}
+
* LIGAND-CPD:
−
{{#set: common name=7-hydroxylauroyl-CoA}}
+
** [http://www.genome.jp/dbget-bin/www_bget?C00473 C00473]
−
{{#set: molecular weight=961.807   }}
+
* CHEMSPIDER:
−
{{#set: common name=7-hydroxydodecanoyl-CoA}}
+
** [http://www.chemspider.com/Chemical-Structure.393012.html 393012]
−
{{#set: produced by=RXN-12184}}
+
* CHEBI:
 +
** [http://www.ebi.ac.uk/chebi/searchId.do?chebiId=17336 17336]
 +
* METABOLIGHTS : MTBLC17336
 +
{{#set: smiles=CC(=CC=CC(C)=CCO)C=CC1(=C(C)CCCC(C)(C)1)}}
 +
{{#set: inchi key=InChIKey=FPIPGXGPPPQFEQ-OVSJKPMPSA-N}}
 +
{{#set: common name=all-trans-retinol}}
 +
{{#set: molecular weight=286.456   }}
 +
{{#set: common name=trans-retinol|retinol|vitamin A|vitamin A1}}
 +
{{#set: consumed by=1.3.99.23-RXN|RXN-12547}}
 +
{{#set: produced by=RXN-12575|3.1.1.64-RXN|RXN-12579}}
 +
{{#set: consumed or produced by=RETINOL-DEHYDROGENASE-RXN}}

Revision as of 15:52, 10 January 2018

Metabolite CPD-13524

  • smiles:
    • CC(=CC=CC(C)=CCO)C=CC1(=C(C)CCCC(C)(C)1)
  • inchi key:
    • InChIKey=FPIPGXGPPPQFEQ-OVSJKPMPSA-N
  • common name:
    • all-trans-retinol
  • molecular weight:
    • 286.456
  • Synonym(s):
    • trans-retinol
    • retinol
    • vitamin A
    • vitamin A1

Reaction(s) known to consume the compound

Reaction(s) known to produce the compound

Reaction(s) of unknown directionality

External links

  • DRUGBANK : DB00162
  • CAS : 68-26-8
  • CAS : 11103-57-4
  • Wikipedia : Retinol
  • LIPID_MAPS : LMPR01090001
  • PUBCHEM:
  • HMDB : HMDB00305
  • LIGAND-CPD:
  • CHEMSPIDER:
  • CHEBI:
  • METABOLIGHTS : MTBLC17336





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