Difference between revisions of "CPD0-1425"

Revision as of 18:35, 10 January 2018

"C4(=CC5(OC1(=C(C(O)=CC2(O[CH]3(OCC[CH](C1=2)3)))C(=O)C(C(O)=C4)=5)))" cannot be used as a page name in this wiki.

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 [[Category:Metabolite]]
-== Metabolite [http://metacyc.org/META/NEW-IMAGE?object=2-Me-Branched-234-Sat-FA 2-Me-Branched-234-Sat-FA] ==
+== Metabolite [http://metacyc.org/META/NEW-IMAGE?object=CPD-4586 CPD-4586] ==
+* smiles:
+** C4(=CC5(OC1(=C(C(O)=CC2(O[CH]3(OCC[CH](C1=2)3)))C(=O)C(C(O)=C4)=5)))
+* inchi key:
+** InChIKey=WUSMTEDKVPWFDN-BWKAKNAASA-N
 * common name:
-** a 2-methyl branched 2,3,4-saturated fatty acid
+** dihydrodemethylsterigmatocystin
+* molecular weight:
+** 312.278
 * Synonym(s):
 == Reaction(s) known to consume the compound ==
-* [[RXN66-483]]
+* [[RXN-9500]]
 == Reaction(s) known to produce the compound ==
-* [[RXN66-472]]
 == Reaction(s) of unknown directionality ==
 == External links  ==
-{{#set: common name=a 2-methyl branched 2,3,4-saturated fatty acid}}
+* LIGAND-CPD:
-{{#set: consumed by=RXN66-483}}
+** [http://www.genome.jp/dbget-bin/www_bget?C20444 C20444]
-{{#set: produced by=RXN66-472}}
+* CHEMSPIDER:
+** [http://www.chemspider.com/Chemical-Structure.4588953.html 4588953]
+* HMDB : HMDB33658
+* PUBCHEM:
+** [http://pubchem.ncbi.nlm.nih.gov/summary/summary.cgi?cid=20832874 20832874]
+{{#set: smiles=C4(=CC5(OC1(=C(C(O)=CC2(O[CH]3(OCC[CH](C1=2)3)))C(=O)C(C(O)=C4)=5)))}}
+{{#set: inchi key=InChIKey=WUSMTEDKVPWFDN-BWKAKNAASA-N}}
+{{#set: common name=dihydrodemethylsterigmatocystin}}
+{{#set: molecular weight=312.278    }}
+{{#set: consumed by=RXN-9500}}