CHEBI:77994 - aklaviketone(1−)

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ChEBI Name aklaviketone(1−)
ChEBI ID CHEBI:77994
ChEBI ASCII Name aklaviketone(1-)
Definition A phenolate anion obtained by deprotonation of 5-hydroxy group of aklaviketone. It is the major microspecies at pH 7.3 (according to Marvin v 6.2.0.).
Stars This entity has been manually annotated by the ChEBI Team.
Submitter KAX
Supplier Information
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Formula C22H17O8
Net Charge -1
Average Mass 409.36610
Monoisotopic Mass 409.09289
InChI InChI=1S/C22H18O8/c1-3-22(29)8-13(24)15-10(17(22)21(28)30-2)7-11-16(20(15)27)19(26)14-9(18(11)25)5-4-6-12(14)23/h4-7,17,23,27,29H,3,8H2,1-2H3/p-1/t17-,22+/m0/s1
InChIKey MHAXMIHGEZOCTQ-HTAPYJJXSA-M
SMILES CC[C@@]1(O)CC(=O)c2c([O-])c3C(=O)c4c(O)cccc4C(=O)c3cc2[C@H]1C(=O)OC
ChEBI Ontology
Outgoing aklaviketone(1−) (CHEBI:77994) is a phenolate anion (CHEBI:50525)
aklaviketone(1−) (CHEBI:77994) is conjugate base of aklaviketone (CHEBI:75244)
Incoming aklaviketone (CHEBI:75244) is conjugate acid of aklaviketone(1−) (CHEBI:77994)
IUPAC Name
(1R,2R)-2-ethyl-2,7-dihydroxy-1-(methoxycarbonyl)-4,6,11-trioxo-1,2,3,4,6,11-hexahydrotetracen-5-olate
Synonym Source
aklaviketone UniProt
Last Modified
16 June 2014