Difference between revisions of "CPD-13612"

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(Created page with "Category:Metabolite == Metabolite [http://metacyc.org/META/NEW-IMAGE?object=HSCN HSCN] == * smiles: ** C(#N)[S-] * inchi key: ** InChIKey=ZMZDMBWJUHKJPS-UHFFFAOYSA-M * com...")
(Created page with "Category:Metabolite == Metabolite [http://metacyc.org/META/NEW-IMAGE?object=CPD-13612 CPD-13612] == * smiles: ** CCCCCCCCCCCCCCCC(C(CO)[N+])O * common name: ** D-erythro-s...")
 
(2 intermediate revisions by the same user not shown)
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[[Category:Metabolite]]
 
[[Category:Metabolite]]
== Metabolite [http://metacyc.org/META/NEW-IMAGE?object=HSCN HSCN] ==
+
== Metabolite [http://metacyc.org/META/NEW-IMAGE?object=CPD-13612 CPD-13612] ==
 
* smiles:
 
* smiles:
** C(#N)[S-]
+
** CCCCCCCCCCCCCCCC(C(CO)[N+])O
* inchi key:
+
** InChIKey=ZMZDMBWJUHKJPS-UHFFFAOYSA-M
+
 
* common name:
 
* common name:
** thiocyanate
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** D-erythro-sphinganine
 +
* inchi key:
 +
** InChIKey=OTKJDMGTUTTYMP-ZWKOTPCHSA-O
 
* molecular weight:
 
* molecular weight:
** 58.078    
+
** 302.519    
 
* Synonym(s):
 
* Synonym(s):
** thiocyanic acid
+
** sphinganine
** rhodanide
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** D-erythro-dihydrosphingosine
 +
** D-erythro-DHS
 +
** D-erythro-dihydrosphingosine (C18)
 +
** D-erythro-sphinganine (C18)
 +
** dihydrosphingosine
  
 
== Reaction(s) known to consume the compound ==
 
== Reaction(s) known to consume the compound ==
 +
* [[RXN3DJ-118]]
 +
* [[SPHINGANINE-KINASE-RXN]]
 
== Reaction(s) known to produce the compound ==
 
== Reaction(s) known to produce the compound ==
* [[THIOSULFATE-SULFURTRANSFERASE-RXN]]
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* [[3-DEHYDROSPHINGANINE-REDUCTASE-RXN]]
* [[RXN0-6359]]
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* [[MERCAPYSTRANS-RXN]]
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== Reaction(s) of unknown directionality ==
 
== Reaction(s) of unknown directionality ==
* [[RXN-18232]]
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* [[RXN-13733]]
 
== External links  ==
 
== External links  ==
* CAS : 463-56-9
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* LIPID_MAPS : LMSP01020001
* METABOLIGHTS : MTBLC18022
+
 
* PUBCHEM:
 
* PUBCHEM:
** [http://pubchem.ncbi.nlm.nih.gov/summary/summary.cgi?cid=9322 9322]
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** [http://pubchem.ncbi.nlm.nih.gov/summary/summary.cgi?cid=46878428 46878428]
* HMDB : HMDB01453
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* HMDB : HMDB00269
* LIGAND-CPD:
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** [http://www.genome.jp/dbget-bin/www_bget?C01755 C01755]
+
 
* CHEMSPIDER:
 
* CHEMSPIDER:
** [http://www.chemspider.com/Chemical-Structure.8961.html 8961]
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** [http://www.chemspider.com/Chemical-Structure.82609.html 82609]
 
* CHEBI:
 
* CHEBI:
** [http://www.ebi.ac.uk/chebi/searchId.do?chebiId=18022 18022]
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** [http://www.ebi.ac.uk/chebi/searchId.do?chebiId=57817 57817]
* BIGG : tcynt
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* METABOLIGHTS : MTBLC57817
{{#set: smiles=C(#N)[S-]}}
+
{{#set: smiles=CCCCCCCCCCCCCCCC(C(CO)[N+])O}}
{{#set: inchi key=InChIKey=ZMZDMBWJUHKJPS-UHFFFAOYSA-M}}
+
{{#set: common name=D-erythro-sphinganine}}
{{#set: common name=thiocyanate}}
+
{{#set: inchi key=InChIKey=OTKJDMGTUTTYMP-ZWKOTPCHSA-O}}
{{#set: molecular weight=58.078   }}
+
{{#set: molecular weight=302.519   }}
{{#set: common name=thiocyanic acid|rhodanide}}
+
{{#set: common name=sphinganine|D-erythro-dihydrosphingosine|D-erythro-DHS|D-erythro-dihydrosphingosine (C18)|D-erythro-sphinganine (C18)|dihydrosphingosine}}
{{#set: produced by=THIOSULFATE-SULFURTRANSFERASE-RXN|RXN0-6359|MERCAPYSTRANS-RXN}}
+
{{#set: consumed by=RXN3DJ-118|SPHINGANINE-KINASE-RXN}}
{{#set: consumed or produced by=RXN-18232}}
+
{{#set: produced by=3-DEHYDROSPHINGANINE-REDUCTASE-RXN}}
 +
{{#set: reversible reaction associated=RXN-13733}}

Latest revision as of 20:20, 21 March 2018

Metabolite CPD-13612

  • smiles:
    • CCCCCCCCCCCCCCCC(C(CO)[N+])O
  • common name:
    • D-erythro-sphinganine
  • inchi key:
    • InChIKey=OTKJDMGTUTTYMP-ZWKOTPCHSA-O
  • molecular weight:
    • 302.519
  • Synonym(s):
    • sphinganine
    • D-erythro-dihydrosphingosine
    • D-erythro-DHS
    • D-erythro-dihydrosphingosine (C18)
    • D-erythro-sphinganine (C18)
    • dihydrosphingosine

Reaction(s) known to consume the compound

Reaction(s) known to produce the compound

Reaction(s) of unknown directionality

External links

  • LIPID_MAPS : LMSP01020001
  • PUBCHEM:
  • HMDB : HMDB00269
  • CHEMSPIDER:
  • CHEBI:
  • METABOLIGHTS : MTBLC57817
"CCCCCCCCCCCCCCCC(C(CO)[N+])O" cannot be used as a page name in this wiki.