Difference between revisions of "CPD0-1163"

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(Created page with "Category:Metabolite == Metabolite [http://metacyc.org/META/NEW-IMAGE?object=CPDQT-36 CPDQT-36] == * smiles: ** C(C(CCCSC)C(O)C(=O)[O-])(=O)[O-] * inchi key: ** InChIKey=SQ...")
 
(Created page with "Category:Metabolite == Metabolite [http://metacyc.org/META/NEW-IMAGE?object=CPD0-1163 CPD0-1163] == * smiles: ** CCCCCCCCC=CCC(O)CC(SCCNC(=O)CCNC(=O)C(O)C(C)(C)COP(=O)(OP(...")
 
(3 intermediate revisions by the same user not shown)
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[[Category:Metabolite]]
 
[[Category:Metabolite]]
== Metabolite [http://metacyc.org/META/NEW-IMAGE?object=CPDQT-36 CPDQT-36] ==
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== Metabolite [http://metacyc.org/META/NEW-IMAGE?object=CPD0-1163 CPD0-1163] ==
 
* smiles:
 
* smiles:
** C(C(CCCSC)C(O)C(=O)[O-])(=O)[O-]
+
** CCCCCCCCC=CCC(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=SQXVIIOPMYSNCP-UHFFFAOYSA-L
+
 
* common name:
 
* common name:
** 3-(3'-methylthio)propylmalate
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** (S)-3-hydroxy-(5Z)-tetradecenoyl-CoA
 +
* inchi key:
 +
** InChIKey=KJJPUIFALMAQPF-SUAKZGBESA-J
 
* molecular weight:
 
* molecular weight:
** 220.24    
+
** 987.845    
 
* Synonym(s):
 
* Synonym(s):
** 3-(3'-methylthio)propylmalic acid
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** (S)-3-hydroxy-5-cis-tetradecenoyl-CoA
 +
** (S)-3-hydroxy-14:1-Δ5-CoA
 +
** (3S)-hydroxy-5-cis-tetradecenoyl-CoA
  
 
== Reaction(s) known to consume the compound ==
 
== Reaction(s) known to consume the compound ==
* [[RXNQT-4165]]
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* [[RXN-14393]]
 
== Reaction(s) known to produce the compound ==
 
== Reaction(s) known to produce the compound ==
 
== Reaction(s) of unknown directionality ==
 
== Reaction(s) of unknown directionality ==
* [[RXN-18208]]
 
 
== External links  ==
 
== External links  ==
 
* PUBCHEM:
 
* PUBCHEM:
** [http://pubchem.ncbi.nlm.nih.gov/summary/summary.cgi?cid=44237292 44237292]
+
** [http://pubchem.ncbi.nlm.nih.gov/summary/summary.cgi?cid=25244729 25244729]
* CHEBI:
+
{{#set: smiles=CCCCCCCCC=CCC(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.ebi.ac.uk/chebi/searchId.do?chebiId=133501 133501]
+
{{#set: common name=(S)-3-hydroxy-(5Z)-tetradecenoyl-CoA}}
{{#set: smiles=C(C(CCCSC)C(O)C(=O)[O-])(=O)[O-]}}
+
{{#set: inchi key=InChIKey=KJJPUIFALMAQPF-SUAKZGBESA-J}}
{{#set: inchi key=InChIKey=SQXVIIOPMYSNCP-UHFFFAOYSA-L}}
+
{{#set: molecular weight=987.845   }}
{{#set: common name=3-(3'-methylthio)propylmalate}}
+
{{#set: common name=(S)-3-hydroxy-5-cis-tetradecenoyl-CoA|(S)-3-hydroxy-14:1-Δ5-CoA|(3S)-hydroxy-5-cis-tetradecenoyl-CoA}}
{{#set: molecular weight=220.24   }}
+
{{#set: consumed by=RXN-14393}}
{{#set: common name=3-(3'-methylthio)propylmalic acid}}
+
{{#set: consumed by=RXNQT-4165}}
+
{{#set: consumed or produced by=RXN-18208}}
+

Latest revision as of 19:28, 21 March 2018

Metabolite CPD0-1163

  • smiles:
    • CCCCCCCCC=CCC(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:
    • (S)-3-hydroxy-(5Z)-tetradecenoyl-CoA
  • inchi key:
    • InChIKey=KJJPUIFALMAQPF-SUAKZGBESA-J
  • molecular weight:
    • 987.845
  • Synonym(s):
    • (S)-3-hydroxy-5-cis-tetradecenoyl-CoA
    • (S)-3-hydroxy-14:1-Δ5-CoA
    • (3S)-hydroxy-5-cis-tetradecenoyl-CoA

Reaction(s) known to consume the compound

Reaction(s) known to produce the compound

Reaction(s) of unknown directionality

External links

"CCCCCCCCC=CCC(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.