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CHEBI:132735 - 4-hydroxy-6-methylpretetramide(1−)

ChEBI IDCHEBI:132735
ChEBI Name4-hydroxy-6-methylpretetramide(1−)
Stars
ASCII Name4-hydroxy-6-methylpretetramide(1-)
DefinitionA phenolate anion that is the conjugate base of 4-hydroxy-6-methylpretetramide, obtained by deprotonation of the 1-hydroxy group. It is the major microspecies at pH 7.3 (according to Marvin v 6.2.0.).
Last Modified23 November 2016
SubmitterKristian Axelsen
DownloadsMolfile
FormulaC20H14NO7
Net Charge-1
Average Mass380.332
Monoisotopic Mass380.07758
SMILESCc1c2cccc(O)c2c(O)c2c(O)c3c([O-])c(C(N)=O)c(O)c(O)c3cc12
InChIInChI=1S/C20H15NO7/c1-6-7-3-2-4-10(22)11(7)16(24)12-8(6)5-9-13(17(12)25)18(26)14(20(21)28)19(27)15(9)23/h2-5,22-27H,1H3,(H2,21,28)/p-1
InChIKeyWSYJHDYOVBGOSR-UHFFFAOYSA-M
ChEBI Ontology
Outgoing Relation(s)
4-hydroxy-6-methylpretetramide(1−) (CHEBI:132735) is a phenolate anion (CHEBI:50525)
4-hydroxy-6-methylpretetramide(1−) (CHEBI:132735) is conjugate base of 4-hydroxy-6-methylpretetramide (CHEBI:28464)
Incoming Relation(s)
4-hydroxy-6-methylpretetramide (CHEBI:28464) is conjugate acid of 4-hydroxy-6-methylpretetramide(1−) (CHEBI:132735)
IUPAC Name 
2-carbamoyl-3,4,10,11,12-pentahydroxy-6-methyltetracen-1-olate
Synonym  Source
4-hydroxy-6-methylpretetramid(1−)ChEBI
Manual XrefsDatabases
CPD-19274MetaCyc
Citations