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CHEBI:181982 - (2E,6E,12E)-19-(2-Amino-2-oxoethyl)-9,11-dihydroxy-8-methoxy-10,12,14-trimethyl-15-oxohenicosa-2,6,12-trienedioic acid

ChEBI IDCHEBI:181982
ChEBI Name(2E,6E,12E)-19-(2-Amino-2-oxoethyl)-9,11-dihydroxy-8-methoxy-10,12,14-trimethyl-15-oxohenicosa-2,6,12-trienedioic acid
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC27H43NO9
Net Charge0
Average Mass525.639
Monoisotopic Mass525.29378
SMILESCOC(/C=C/CC/C=C/C(=O)O)C(O)C(C)C(O)/C(C)=C/C(C)C(=O)CCCC(CC(N)=O)CC(=O)O
InChIInChI=1S/C27H43NO9/c1-17(21(29)11-9-10-20(15-23(28)30)16-25(33)34)14-18(2)26(35)19(3)27(36)22(37-4)12-7-5-6-8-13-24(31)32/h7-8,12-14,17,19-20,22,26-27,35-36H,5-6,9-11,15-16H2,1-4H3,(H2,28,30)(H,31,32)(H,33,34)/b12-7+,13-8+,18-14+
InChIKeyIZBWUVKNXOGJSA-MNOLRWOYSA-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)
(2E,6E,12E)-19-(2-Amino-2-oxoethyl)-9,11-dihydroxy-8-methoxy-10,12,14-trimethyl-15-oxohenicosa-2,6,12-trienedioic acid (CHEBI:181982) is a long-chain fatty acid (CHEBI:15904)
IUPAC Name 
(2E,6E,12E)-19-(2-amino-2-oxoethyl)-9,11-dihydroxy-8-methoxy-10,12,14-trimethyl-15-oxohenicosa-2,6,12-trienedioic acid
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