Difference between revisions of "CPD1F-118"

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(Created page with "Category:Metabolite == Metabolite [http://metacyc.org/META/NEW-IMAGE?object=CPD-17370 CPD-17370] == * smiles: ** CC(C)(C(O)C(=O)NCCC(=O)NCCSC(=O)CCCCCCCC=CCCCCCCCCO)COP(=O...")
 
 
(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=CPD-17370 CPD-17370] ==
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== Metabolite [http://metacyc.org/META/NEW-IMAGE?object=CPD1F-118 CPD1F-118] ==
 
* smiles:
 
* smiles:
** CC(C)(C(O)C(=O)NCCC(=O)NCCSC(=O)CCCCCCCC=CCCCCCCCCO)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-]
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** CC(=CC=CC=C(C=CC=C(C=CC1(=C(CCCC1(C)C)C))C)C)C=CC=C(C=CC2(C(=CCCC2(C)C)C))C
 +
* molecular weight:
 +
** 536.882   
 
* inchi key:
 
* inchi key:
** InChIKey=MQACSUXWIYYZAK-UTNXWDCOSA-J
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** InChIKey=ANVAOWXLWRTKGA-JLTXGRSLSA-N
 
* common name:
 
* common name:
** 18-hydroxyoleoyl-CoA
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** α-carotene
* molecular weight:
+
** 1043.952   
+
 
* Synonym(s):
 
* Synonym(s):
** (9Z)-18-hydroxyoctadec-9-enoyl-CoA
 
** ω-hydroxyoleoyl-CoA
 
  
 
== Reaction(s) known to consume the compound ==
 
== Reaction(s) known to consume the compound ==
* [[RXN-16117]]
 
 
== Reaction(s) known to produce the compound ==
 
== Reaction(s) known to produce the compound ==
* [[RXN-16402]]
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* [[RXN1F-148]]
 
== Reaction(s) of unknown directionality ==
 
== Reaction(s) of unknown directionality ==
 
== External links  ==
 
== External links  ==
* PUBCHEM:
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* LIGAND-CPD:
** [http://pubchem.ncbi.nlm.nih.gov/summary/summary.cgi?cid=91820566 91820566]
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** [http://www.genome.jp/dbget-bin/www_bget?C05433 C05433]
 +
* HMDB : HMDB03993
 +
* LIPID_MAPS : LMPR01070258
 +
* CHEMSPIDER:
 +
** [http://www.chemspider.com/Chemical-Structure.3571861.html 3571861]
 
* CHEBI:
 
* CHEBI:
** [http://www.ebi.ac.uk/chebi/searchId.do?chebiId=86044 86044]
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** [http://www.ebi.ac.uk/chebi/searchId.do?chebiId=28425 28425]
{{#set: smiles=CC(C)(C(O)C(=O)NCCC(=O)NCCSC(=O)CCCCCCCC=CCCCCCCCCO)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-]}}
+
* PUBCHEM:
{{#set: inchi key=InChIKey=MQACSUXWIYYZAK-UTNXWDCOSA-J}}
+
** [http://pubchem.ncbi.nlm.nih.gov/summary/summary.cgi?cid=4369188 4369188]
{{#set: common name=18-hydroxyoleoyl-CoA}}
+
{{#set: smiles=CC(=CC=CC=C(C=CC=C(C=CC1(=C(CCCC1(C)C)C))C)C)C=CC=C(C=CC2(C(=CCCC2(C)C)C))C}}
{{#set: molecular weight=1043.952    }}
+
{{#set: molecular weight=536.882    }}
{{#set: common name=(9Z)-18-hydroxyoctadec-9-enoyl-CoA|ω-hydroxyoleoyl-CoA}}
+
{{#set: inchi key=InChIKey=ANVAOWXLWRTKGA-JLTXGRSLSA-N}}
{{#set: consumed by=RXN-16117}}
+
{{#set: common name=α-carotene}}
{{#set: produced by=RXN-16402}}
+
{{#set: produced by=RXN1F-148}}

Latest revision as of 17:39, 9 January 2019

Metabolite CPD1F-118

  • smiles:
    • CC(=CC=CC=C(C=CC=C(C=CC1(=C(CCCC1(C)C)C))C)C)C=CC=C(C=CC2(C(=CCCC2(C)C)C))C
  • molecular weight:
    • 536.882
  • inchi key:
    • InChIKey=ANVAOWXLWRTKGA-JLTXGRSLSA-N
  • common name:
    • α-carotene
  • Synonym(s):

Reaction(s) known to consume the compound

Reaction(s) known to produce the compound

Reaction(s) of unknown directionality

External links