Difference between revisions of "CPD-13936"

From metabolic_network
Jump to: navigation, search
(Created page with "Category:Metabolite == Metabolite [http://metacyc.org/META/NEW-IMAGE?object=CPD1F-129 CPD1F-129] == * smiles: ** CC(C=CC=C(C=CC1(C(C)(C)CCCC=1C))C)=CC=CC=C(C=CC=C(C=CC2(=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=CPD1F-129 CPD1F-129] ==
+
== Metabolite [http://metacyc.org/META/NEW-IMAGE?object=CPD-13936 CPD-13936] ==
 
* smiles:
 
* smiles:
** CC(C=CC=C(C=CC1(C(C)(C)CCCC=1C))C)=CC=CC=C(C=CC=C(C=CC2(=C(CCCC(C)(C)2)C))C)C
+
** CC(=O)NC1(C(OC(CO)C(C(O)1)OC2(OC(CO)C(C(O)C(NC(=O)C)2)OC3(C(O)C(C(O)C(O3)COC6(C(O)C(C(O)C(COC5(OC(CO)C(O)C(O)C(OC4(C(O)C(O)C(O)C(CO)O4))5))O6)OC7(C(C(O)C(O)C(CO)O7)OC8(C(O)C(O)C(O)C(CO)O8))))OC%14(OC(CO)C(O)C(O)C(OC%13(OC(CO)C(O)C(O)C(OC9(C(O)C(C(O)C(O9)CO)OC%10(C(O)C(C(O)C(O%10)CO)OC%12(OC(CO)C(O)C(O)C(OC%11(C(O)C(O)C(O)C(CO)O%11))%12))))%13))%14))))O)
 +
* molecular weight:
 +
** 2370.108   
 
* inchi key:
 
* inchi key:
** InChIKey=OENHQHLEOONYIE-JLTXGRSLSA-N
+
** InChIKey=KUYCTNQKTFGPMI-SXHURMOUSA-N
 
* common name:
 
* common name:
** all-trans-β-carotene
+
** Glc3Man9GlcNAc2
* molecular weight:
+
** 536.882   
+
 
* Synonym(s):
 
* Synonym(s):
** β-carotene
 
  
 
== Reaction(s) known to consume the compound ==
 
== Reaction(s) known to consume the compound ==
* [[RXN1F-152]]
+
* [[3.2.1.106-RXN]]
 
== Reaction(s) known to produce the compound ==
 
== Reaction(s) known to produce the compound ==
* [[RXN1F-151]]
 
 
== Reaction(s) of unknown directionality ==
 
== Reaction(s) of unknown directionality ==
* [[RXN-13641]]
 
 
== External links  ==
 
== External links  ==
* CAS : 7235-40-7
 
* LIPID_MAPS : LMPR01070001
 
 
* PUBCHEM:
 
* PUBCHEM:
** [http://pubchem.ncbi.nlm.nih.gov/summary/summary.cgi?cid=5280489 5280489]
+
** [http://pubchem.ncbi.nlm.nih.gov/summary/summary.cgi?cid=90658561 90658561]
* HMDB : HMDB00561
+
{{#set: smiles=CC(=O)NC1(C(OC(CO)C(C(O)1)OC2(OC(CO)C(C(O)C(NC(=O)C)2)OC3(C(O)C(C(O)C(O3)COC6(C(O)C(C(O)C(COC5(OC(CO)C(O)C(O)C(OC4(C(O)C(O)C(O)C(CO)O4))5))O6)OC7(C(C(O)C(O)C(CO)O7)OC8(C(O)C(O)C(O)C(CO)O8))))OC%14(OC(CO)C(O)C(O)C(OC%13(OC(CO)C(O)C(O)C(OC9(C(O)C(C(O)C(O9)CO)OC%10(C(O)C(C(O)C(O%10)CO)OC%12(OC(CO)C(O)C(O)C(OC%11(C(O)C(O)C(O)C(CO)O%11))%12))))%13))%14))))O)}}
* LIGAND-CPD:
+
{{#set: molecular weight=2370.108   }}
** [http://www.genome.jp/dbget-bin/www_bget?C02094 C02094]
+
{{#set: inchi key=InChIKey=KUYCTNQKTFGPMI-SXHURMOUSA-N}}
* CHEMSPIDER:
+
{{#set: common name=Glc3Man9GlcNAc2}}
** [http://www.chemspider.com/Chemical-Structure.4444129.html 4444129]
+
{{#set: consumed by=3.2.1.106-RXN}}
* CHEBI:
+
** [http://www.ebi.ac.uk/chebi/searchId.do?chebiId=17579 17579]
+
* METABOLIGHTS : MTBLC17579
+
{{#set: smiles=CC(C=CC=C(C=CC1(C(C)(C)CCCC=1C))C)=CC=CC=C(C=CC=C(C=CC2(=C(CCCC(C)(C)2)C))C)C}}
+
{{#set: inchi key=InChIKey=OENHQHLEOONYIE-JLTXGRSLSA-N}}
+
{{#set: common name=all-trans-β-carotene}}
+
{{#set: molecular weight=536.882   }}
+
{{#set: common name=β-carotene}}
+
{{#set: consumed by=RXN1F-152}}
+
{{#set: produced by=RXN1F-151}}
+
{{#set: consumed or produced by=RXN-13641}}
+

Latest revision as of 16:49, 9 January 2019

Metabolite CPD-13936

  • smiles:
    • CC(=O)NC1(C(OC(CO)C(C(O)1)OC2(OC(CO)C(C(O)C(NC(=O)C)2)OC3(C(O)C(C(O)C(O3)COC6(C(O)C(C(O)C(COC5(OC(CO)C(O)C(O)C(OC4(C(O)C(O)C(O)C(CO)O4))5))O6)OC7(C(C(O)C(O)C(CO)O7)OC8(C(O)C(O)C(O)C(CO)O8))))OC%14(OC(CO)C(O)C(O)C(OC%13(OC(CO)C(O)C(O)C(OC9(C(O)C(C(O)C(O9)CO)OC%10(C(O)C(C(O)C(O%10)CO)OC%12(OC(CO)C(O)C(O)C(OC%11(C(O)C(O)C(O)C(CO)O%11))%12))))%13))%14))))O)
  • molecular weight:
    • 2370.108
  • inchi key:
    • InChIKey=KUYCTNQKTFGPMI-SXHURMOUSA-N
  • common name:
    • Glc3Man9GlcNAc2
  • Synonym(s):

Reaction(s) known to consume the compound

Reaction(s) known to produce the compound

Reaction(s) of unknown directionality

External links

"CC(=O)NC1(C(OC(CO)C(C(O)1)OC2(OC(CO)C(C(O)C(NC(=O)C)2)OC3(C(O)C(C(O)C(O3)COC6(C(O)C(C(O)C(COC5(OC(CO)C(O)C(O)C(OC4(C(O)C(O)C(O)C(CO)O4))5))O6)OC7(C(C(O)C(O)C(CO)O7)OC8(C(O)C(O)C(O)C(CO)O8))))OC%14(OC(CO)C(O)C(O)C(OC%13(OC(CO)C(O)C(O)C(OC9(C(O)C(C(O)C(O9)CO)OC%10(C(O)C(C(O)C(O%10)CO)OC%12(OC(CO)C(O)C(O)C(OC%11(C(O)C(O)C(O)C(CO)O%11))%12))))%13))%14))))O)" cannot be used as a page name in this wiki.