Difference between revisions of "CPD-18489"

From metabolic_network
Jump to: navigation, search
(Created page with "Category:Metabolite == Metabolite [http://metacyc.org/META/NEW-IMAGE?object=ENT-KAUR-16-EN-19-OL ENT-KAUR-16-EN-19-OL] == * smiles: ** C=C1(C4(CC3(C1)(CC[CH]2(C(C)(CO)CCCC...")
(Created page with "Category:Metabolite == Metabolite [http://metacyc.org/META/NEW-IMAGE?object=CPD-18489 CPD-18489] == * smiles: ** CCCCCC=CCC=CCC=CCC=CCCCCCC(O)CC(SCCNC(=O)CCNC(=O)C(O)C(C)(...")
 
(2 intermediate revisions by the same user not shown)
Line 1: Line 1:
 
[[Category:Metabolite]]
 
[[Category:Metabolite]]
== Metabolite [http://metacyc.org/META/NEW-IMAGE?object=ENT-KAUR-16-EN-19-OL ENT-KAUR-16-EN-19-OL] ==
+
== Metabolite [http://metacyc.org/META/NEW-IMAGE?object=CPD-18489 CPD-18489] ==
 
* smiles:
 
* smiles:
** C=C1(C4(CC3(C1)(CC[CH]2(C(C)(CO)CCCC(C)2[CH]3CC4))))
+
** CCCCCC=CCC=CCC=CCC=CCCCCCC(O)CC(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-])=O
* inchi key:
+
** InChIKey=TUJQVRFWMWRMIO-XRNRSJMDSA-N
+
 
* common name:
 
* common name:
** ent-kaurenol
+
** (3R)-hydroxy-tetracosatetraenoyl-CoA
 +
* inchi key:
 +
** InChIKey=DMYSJGJJPTXMAW-JJKILJMSSA-J
 
* molecular weight:
 
* molecular weight:
** 288.472    
+
** 1122.065    
 
* Synonym(s):
 
* Synonym(s):
** ent-kaur-16-en-19-ol
+
** (3R)-hydroxy-(9Z,12Z,15Z,18Z)-tetracosa-9,12,15,18-tetraenoyl-CoA
 +
** (3R)-hydroxy-(9Z,12Z,15Z,18Z)-tetracosatetraenoyl-CoA
  
 
== Reaction(s) known to consume the compound ==
 
== Reaction(s) known to consume the compound ==
* [[RXN-5242]]
 
 
== Reaction(s) known to produce the compound ==
 
== Reaction(s) known to produce the compound ==
* [[1.14.13.78-RXN]]
+
* [[RXN-17109]]
 
== 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=443465 443465]
+
** [http://pubchem.ncbi.nlm.nih.gov/summary/summary.cgi?cid=72193803 72193803]
 
* CHEBI:
 
* CHEBI:
** [http://www.ebi.ac.uk/chebi/searchId.do?chebiId=29611 29611]
+
** [http://www.ebi.ac.uk/chebi/searchId.do?chebiId=76417 76417]
* LIGAND-CPD:
+
{{#set: smiles=CCCCCC=CCC=CCC=CCC=CCCCCCC(O)CC(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-])=O}}
** [http://www.genome.jp/dbget-bin/www_bget?C11872 C11872]
+
{{#set: common name=(3R)-hydroxy-tetracosatetraenoyl-CoA}}
* HMDB : HMDB36727
+
{{#set: inchi key=InChIKey=DMYSJGJJPTXMAW-JJKILJMSSA-J}}
{{#set: smiles=C=C1(C4(CC3(C1)(CC[CH]2(C(C)(CO)CCCC(C)2[CH]3CC4))))}}
+
{{#set: molecular weight=1122.065   }}
{{#set: inchi key=InChIKey=TUJQVRFWMWRMIO-XRNRSJMDSA-N}}
+
{{#set: common name=(3R)-hydroxy-(9Z,12Z,15Z,18Z)-tetracosa-9,12,15,18-tetraenoyl-CoA|(3R)-hydroxy-(9Z,12Z,15Z,18Z)-tetracosatetraenoyl-CoA}}
{{#set: common name=ent-kaurenol}}
+
{{#set: produced by=RXN-17109}}
{{#set: molecular weight=288.472   }}
+
{{#set: common name=ent-kaur-16-en-19-ol}}
+
{{#set: consumed by=RXN-5242}}
+
{{#set: produced by=1.14.13.78-RXN}}
+

Latest revision as of 20:10, 21 March 2018

Metabolite CPD-18489

  • smiles:
    • CCCCCC=CCC=CCC=CCC=CCCCCCC(O)CC(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-])=O
  • common name:
    • (3R)-hydroxy-tetracosatetraenoyl-CoA
  • inchi key:
    • InChIKey=DMYSJGJJPTXMAW-JJKILJMSSA-J
  • molecular weight:
    • 1122.065
  • Synonym(s):
    • (3R)-hydroxy-(9Z,12Z,15Z,18Z)-tetracosa-9,12,15,18-tetraenoyl-CoA
    • (3R)-hydroxy-(9Z,12Z,15Z,18Z)-tetracosatetraenoyl-CoA

Reaction(s) known to consume the compound

Reaction(s) known to produce the compound

Reaction(s) of unknown directionality

External links

"CCCCCC=CCC=CCC=CCC=CCCCCCC(O)CC(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-])=O" cannot be used as a page name in this wiki.