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CHEBI:77982 - tetracenomycin F2(2−)

ChEBI IDCHEBI:77982
ChEBI Nametetracenomycin F2(2−)
Stars
ASCII Nametetracenomycin F2(2-)
DefinitionA hydroxy monocarboxylic acid anion obtained by deprotonation of the carboxy and 7-hydroxy groups of tetracenomycin F2. It is the major microspecies at pH 7.3 (according to Marvin v 6.2.0.).
Last Modified16 June 2014
SubmitterKAX
DownloadsMolfile
FormulaC20H14O8
Net Charge-2
Average Mass382.324
Monoisotopic Mass382.06996
SMILESCC(=O)c1c(/C=C(/O)CC(=O)[O-])cc2c(c1O)C(=O)c1c(O)cc([O-])cc1C2
InChIInChI=1S/C20H16O8/c1-8(21)16-10(4-13(23)7-15(25)26)2-9-3-11-5-12(22)6-14(24)17(11)20(28)18(9)19(16)27/h2,4-6,22-24,27H,3,7H2,1H3,(H,25,26)/p-2/b13-4+
InChIKeyOVIPDYYHLHEFDF-YIXHJXPBSA-L
ChEBI Ontology
Outgoing Relation(s)
tetracenomycin F2(2−) (CHEBI:77982) is a hydroxy monocarboxylic acid anion (CHEBI:36059)
tetracenomycin F2(2−) (CHEBI:77982) is a phenolate anion (CHEBI:50525)
tetracenomycin F2(2−) (CHEBI:77982) is conjugate base of tetracenomycin F2(1−) (CHEBI:76159)
Incoming Relation(s)
tetracenomycin F2(1−) (CHEBI:76159) is conjugate acid of tetracenomycin F2(2−) (CHEBI:77982)
IUPAC Name 
(3E)-4-(3-acetyl-4,5-dihydroxy-7-oxido-10-oxo-9,10-dihydroanthracen-2-yl)-3-hydroxybut-3-enoate
UniProt Name  Source
tetracenomycin F2UniProt