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CHEBI:77990 - tetracenomycin D3(2−)

ChEBI IDCHEBI:77990
ChEBI Nametetracenomycin D3(2−)
Stars
ASCII Nametetracenomycin D3(2-)
DefinitionA hydroxy monocarboxylic acid anion obtained by deprotonation of the carboxy and 8-hydroxy groups of tetracenomycin D3. It is the major microspecies at pH 7.3 (according to Marvin v 6.2.0.).
Last Modified16 June 2014
SubmitterKAX
DownloadsMolfile
FormulaC20H10O8
Net Charge-2
Average Mass378.292
Monoisotopic Mass378.03866
SMILESCc1c(C(=O)[O-])c(O)cc2cc3c(c(O)c12)C(=O)c1c(O)cc([O-])cc1C3=O
InChIInChI=1S/C20H12O8/c1-6-13-7(3-11(22)14(6)20(27)28)2-9-16(18(13)25)19(26)15-10(17(9)24)4-8(21)5-12(15)23/h2-5,21-23,25H,1H3,(H,27,28)/p-2
InChIKeyOXCNORDLEQIUCT-UHFFFAOYSA-L
ChEBI Ontology
Outgoing Relation(s)
tetracenomycin D3(2−) (CHEBI:77990) is a hydroxy monocarboxylic acid anion (CHEBI:36059)
tetracenomycin D3(2−) (CHEBI:77990) is a phenolate anion (CHEBI:50525)
tetracenomycin D3(2−) (CHEBI:77990) is conjugate base of tetracenomycin D3(1−) (CHEBI:74934)
Incoming Relation(s)
tetracenomycin D3(1−) (CHEBI:74934) is conjugate acid of tetracenomycin D3(2−) (CHEBI:77990)
IUPAC Name 
3,10,12-trihydroxy-1-methyl-8-oxido-6,11-dioxo-6,11-dihydrotetracene-2-carboxylate
UniProt Name  Source
tetracenomycin D3UniProt
Citations