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CHEBI:182870 - (9E,15E,19E)-3-(2-Amino-2-oxoethyl)-11,13-dihydroxy-14,21-dimethoxy-8,10,12-trimethyl-7,21-dioxohenicosa-9,15,19-trienoic acid

ChEBI IDCHEBI:182870
ChEBI Name(9E,15E,19E)-3-(2-Amino-2-oxoethyl)-11,13-dihydroxy-14,21-dimethoxy-8,10,12-trimethyl-7,21-dioxohenicosa-9,15,19-trienoic acid
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC28H45NO9
Net Charge0
Average Mass539.666
Monoisotopic Mass539.30943
SMILESCOC(=O)/C=C/CC/C=C/C(OC)C(O)C(C)C(O)/C(C)=C/C(C)C(=O)CCCC(CC(N)=O)CC(=O)O
InChIInChI=1S/C28H45NO9/c1-18(22(30)12-10-11-21(16-24(29)31)17-25(32)33)15-19(2)27(35)20(3)28(36)23(37-4)13-8-6-7-9-14-26(34)38-5/h8-9,13-15,18,20-21,23,27-28,35-36H,6-7,10-12,16-17H2,1-5H3,(H2,29,31)(H,32,33)/b13-8+,14-9+,19-15+
InChIKeyRSNBAEGFNZIXPM-VDKFNAMPSA-N
Roles Classification
Chemical Role:
Bronsted acid  A molecular entity capable of donating a hydron to an acceptor (Brønsted base).
ChEBI Ontology
Outgoing Relation(s)
(9E,15E,19E)-3-(2-Amino-2-oxoethyl)-11,13-dihydroxy-14,21-dimethoxy-8,10,12-trimethyl-7,21-dioxohenicosa-9,15,19-trienoic acid (CHEBI:182870) is a hydroxy fatty acid (CHEBI:24654)
(9E,15E,19E)-3-(2-Amino-2-oxoethyl)-11,13-dihydroxy-14,21-dimethoxy-8,10,12-trimethyl-7,21-dioxohenicosa-9,15,19-trienoic acid (CHEBI:182870) is a polyunsaturated fatty acid (CHEBI:26208)
IUPAC Name 
(9E,15E,19E)-3-(2-amino-2-oxoethyl)-11,13-dihydroxy-14,21-dimethoxy-8,10,12-trimethyl-7,21-dioxohenicosa-9,15,19-trienoic acid