Difference between revisions of "CPD-19159"

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(Created page with "Category:Metabolite == Metabolite [http://metacyc.org/META/NEW-IMAGE?object=CPD-4578 CPD-4578] == * smiles: ** CC(C)=CCCC(C)[CH]3(CC[CH]4(C2(CC[CH]1(C(C)C(=O)CCC(C)1C=2CCC...")
(Created page with "Category:Metabolite == Metabolite [http://metacyc.org/META/NEW-IMAGE?object=CPD-19159 CPD-19159] == * smiles: ** CCCCCCC=CCCCCCCCC(O)CC(=O)SCCNC(=O)CCNC(=O)C(O)C(C)(C)COP(...")
 
(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-4578 CPD-4578] ==
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== Metabolite [http://metacyc.org/META/NEW-IMAGE?object=CPD-19159 CPD-19159] ==
 
* smiles:
 
* smiles:
** CC(C)=CCCC(C)[CH]3(CC[CH]4(C2(CC[CH]1(C(C)C(=O)CCC(C)1C=2CCC(C)34))))
+
** CCCCCCC=CCCCCCCCC(O)CC(=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-]
 
* inchi key:
 
* inchi key:
** InChIKey=DBPZYKHQDWKORQ-SINUOACOSA-N
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** InChIKey=SCDXBWNPJAGEEK-KBOAXVDLSA-J
 
* common name:
 
* common name:
** 3-dehydro-4-methylzymosterol
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** (S)-3-hydroxy-(11Z)-octadecenoyl-CoA
 
* molecular weight:
 
* molecular weight:
** 396.655    
+
** 1043.952    
 
* Synonym(s):
 
* Synonym(s):
** 4α-methyl-5α-cholesta-8,24-dien-3-one
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** (S)-3-hydroxy-18:1-Δ11-CoA
** 3-keto-4-methylzymosterol
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** (S)-3-hydroxy-11-cis-octadecenoyl-CoA
  
 
== Reaction(s) known to consume the compound ==
 
== Reaction(s) known to consume the compound ==
 +
* [[RXN-17786]]
 
== Reaction(s) known to produce the compound ==
 
== Reaction(s) known to produce the compound ==
* [[RXN66-313]]
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* [[RXN-17785]]
 
== Reaction(s) of unknown directionality ==
 
== Reaction(s) of unknown directionality ==
 
== External links  ==
 
== External links  ==
* LIGAND-CPD:
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{{#set: smiles=CCCCCCC=CCCCCCCCC(O)CC(=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-]}}
** [http://www.genome.jp/dbget-bin/www_bget?C15816 C15816]
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{{#set: inchi key=InChIKey=SCDXBWNPJAGEEK-KBOAXVDLSA-J}}
* CHEBI:
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{{#set: common name=(S)-3-hydroxy-(11Z)-octadecenoyl-CoA}}
** [http://www.ebi.ac.uk/chebi/searchId.do?chebiId=50593 50593]
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{{#set: molecular weight=1043.952   }}
* METABOLIGHTS : MTBLC50593
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{{#set: common name=(S)-3-hydroxy-18:1-Δ11-CoA|(S)-3-hydroxy-11-cis-octadecenoyl-CoA}}
* PUBCHEM:
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{{#set: consumed by=RXN-17786}}
** [http://pubchem.ncbi.nlm.nih.gov/summary/summary.cgi?cid=22298939 22298939]
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{{#set: produced by=RXN-17785}}
* HMDB : HMDB06838
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{{#set: smiles=CC(C)=CCCC(C)[CH]3(CC[CH]4(C2(CC[CH]1(C(C)C(=O)CCC(C)1C=2CCC(C)34))))}}
+
{{#set: inchi key=InChIKey=DBPZYKHQDWKORQ-SINUOACOSA-N}}
+
{{#set: common name=3-dehydro-4-methylzymosterol}}
+
{{#set: molecular weight=396.655   }}
+
{{#set: common name=4α-methyl-5α-cholesta-8,24-dien-3-one|3-keto-4-methylzymosterol}}
+
{{#set: produced by=RXN66-313}}
+

Latest revision as of 19:56, 21 March 2018

Metabolite CPD-19159

  • smiles:
    • CCCCCCC=CCCCCCCCC(O)CC(=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-]
  • inchi key:
    • InChIKey=SCDXBWNPJAGEEK-KBOAXVDLSA-J
  • common name:
    • (S)-3-hydroxy-(11Z)-octadecenoyl-CoA
  • molecular weight:
    • 1043.952
  • Synonym(s):
    • (S)-3-hydroxy-18:1-Δ11-CoA
    • (S)-3-hydroxy-11-cis-octadecenoyl-CoA

Reaction(s) known to consume the compound

Reaction(s) known to produce the compound

Reaction(s) of unknown directionality

External links

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