Difference between revisions of "CPD-17332"

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(Created page with "Category:Metabolite == Metabolite [http://metacyc.org/META/NEW-IMAGE?object=CPD-4143 CPD-4143] == * smiles: ** CCC(C(C)C)CCC(C)[CH]3(CC[CH]4([CH]2(CC=C1(CC(O)CCC(C)1[CH]2C...")
(Created page with "Category:Metabolite == Metabolite [http://metacyc.org/META/NEW-IMAGE?object=CPD-17332 CPD-17332] == * smiles: ** CCC=CCC=CCC=CCC=CCC=CCCCCCC(=O)CC(SCCNC(=O)CCNC(=O)C(O)C(C...")
 
(One intermediate revision by the same user not shown)
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[[Category:Metabolite]]
 
[[Category:Metabolite]]
−
== Metabolite [http://metacyc.org/META/NEW-IMAGE?object=CPD-4143 CPD-4143] ==
+
== Metabolite [http://metacyc.org/META/NEW-IMAGE?object=CPD-17332 CPD-17332] ==
 
* smiles:
 
* smiles:
−
** CCC(C(C)C)CCC(C)[CH]3(CC[CH]4([CH]2(CC=C1(CC(O)CCC(C)1[CH]2CCC(C)34))))
+
** CCC=CCC=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=KZJWDPNRJALLNS-VJSFXXLFSA-N
+
 
* common name:
 
* common name:
−
** sitosterol
+
** 3-oxo-tetracosapentaenoyl-CoA
 +
* inchi key:
 +
** InChIKey=UQPANOGFYCZRAV-AFQBPCMKSA-J
 
* molecular weight:
 
* molecular weight:
−
** 414.713    
+
** 1118.034    
 
* Synonym(s):
 
* Synonym(s):
−
** β-sitosterol
+
** 3-oxo-(9Z,12Z,15Z,18Z,21Z)-tetracosapentaenoyl-CoA
−
** quebrachol
+
** 3-oxo-all-cis-9,12,15,18,21-tetracosapentaenoyl-CoA
−
** cinchol
+
** 3-oxo-(9Z,12Z,15Z,18Z,21Z)-tetracosa-9,12,15,18,21-pentaenoyl-CoA
−
** cupreol
+
−
** rhamnol
+
−
** 22,23-dihydrostigmasterol
+
  
 
== Reaction(s) known to consume the compound ==
 
== Reaction(s) known to consume the compound ==
−
* [[RXN-12789]]
+
* [[RXN-16129]]
 
== Reaction(s) known to produce the compound ==
 
== Reaction(s) known to produce the compound ==
 +
* [[RXN-16082]]
 
== Reaction(s) of unknown directionality ==
 
== Reaction(s) of unknown directionality ==
 
== External links  ==
 
== External links  ==
−
* LIPID_MAPS : LMST01040129
 
 
* PUBCHEM:
 
* PUBCHEM:
−
** [http://pubchem.ncbi.nlm.nih.gov/summary/summary.cgi?cid=222284 222284]
+
** [http://pubchem.ncbi.nlm.nih.gov/summary/summary.cgi?cid=71581129 71581129]
−
* HMDB : HMDB00852
+
−
* LIGAND-CPD:
+
−
** [http://www.genome.jp/dbget-bin/www_bget?C01753 C01753]
+
−
* CHEMSPIDER:
+
−
** [http://www.chemspider.com/Chemical-Structure.192962.html 192962]
+
 
* CHEBI:
 
* CHEBI:
−
** [http://www.ebi.ac.uk/chebi/searchId.do?chebiId=27693 27693]
+
** [http://www.ebi.ac.uk/chebi/searchId.do?chebiId=73871 73871]
−
* METABOLIGHTS : MTBLC27693
+
{{#set: smiles=CCC=CCC=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}}
−
{{#set: smiles=CCC(C(C)C)CCC(C)[CH]3(CC[CH]4([CH]2(CC=C1(CC(O)CCC(C)1[CH]2CCC(C)34))))}}
+
{{#set: common name=3-oxo-tetracosapentaenoyl-CoA}}
−
{{#set: inchi key=InChIKey=KZJWDPNRJALLNS-VJSFXXLFSA-N}}
+
{{#set: inchi key=InChIKey=UQPANOGFYCZRAV-AFQBPCMKSA-J}}
−
{{#set: common name=sitosterol}}
+
{{#set: molecular weight=1118.034   }}
−
{{#set: molecular weight=414.713   }}
+
{{#set: common name=3-oxo-(9Z,12Z,15Z,18Z,21Z)-tetracosapentaenoyl-CoA|3-oxo-all-cis-9,12,15,18,21-tetracosapentaenoyl-CoA|3-oxo-(9Z,12Z,15Z,18Z,21Z)-tetracosa-9,12,15,18,21-pentaenoyl-CoA}}
−
{{#set: common name=β-sitosterol|quebrachol|cinchol|cupreol|rhamnol|22,23-dihydrostigmasterol}}
+
{{#set: consumed by=RXN-16129}}
−
{{#set: consumed by=RXN-12789}}
+
{{#set: produced by=RXN-16082}}

Latest revision as of 19:39, 21 March 2018

Metabolite CPD-17332

  • smiles:
    • CCC=CCC=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:
    • 3-oxo-tetracosapentaenoyl-CoA
  • inchi key:
    • InChIKey=UQPANOGFYCZRAV-AFQBPCMKSA-J
  • molecular weight:
    • 1118.034
  • Synonym(s):
    • 3-oxo-(9Z,12Z,15Z,18Z,21Z)-tetracosapentaenoyl-CoA
    • 3-oxo-all-cis-9,12,15,18,21-tetracosapentaenoyl-CoA
    • 3-oxo-(9Z,12Z,15Z,18Z,21Z)-tetracosa-9,12,15,18,21-pentaenoyl-CoA

Reaction(s) known to consume the compound

Reaction(s) known to produce the compound

Reaction(s) of unknown directionality

External links

"CCC=CCC=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.




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