CHEBI:181007 - 2-[2-(19-Acetamido-16,18-dihydroxy-5,9-dimethyl-6-oxoicosan-7-yl)oxy-2-oxoethyl]butanedioic acid

ChEBI IDCHEBI:181007
ChEBI Name2-[2-(19-Acetamido-16,18-dihydroxy-5,9-dimethyl-6-oxoicosan-7-yl)oxy-2-oxoethyl]butanedioic acid
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SubmitterMetaboLights
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FormulaC30H53NO10
Net Charge0
Average Mass587.751
Monoisotopic Mass587.36695
SMILESCCCCC(C)C(=O)C(CC(C)CCCCCCC(O)CC(O)C(C)NC(C)=O)OC(=O)CC(CC(=O)O)C(=O)O
InChIInChI=1S/C30H53NO10/c1-6-7-13-20(3)29(38)26(41-28(37)17-23(30(39)40)16-27(35)36)15-19(2)12-10-8-9-11-14-24(33)18-25(34)21(4)31-22(5)32/h19-21,23-26,33-34H,6-18H2,1-5H3,(H,31,32)(H,35,36)(H,39,40)
InChIKeyCYKDMNNWBMLNSF-UHFFFAOYSA-N
ChEBI Ontology
Outgoing Relation(s)
2-[2-(19-Acetamido-16,18-dihydroxy-5,9-dimethyl-6-oxoicosan-7-yl)oxy-2-oxoethyl]butanedioic acid (CHEBI:181007) is a carbonyl compound (CHEBI:36586)
IUPAC Name 
2-[2-(19-acetamido-16,18-dihydroxy-5,9-dimethyl-6-oxoicosan-7-yl)oxy-2-oxoethyl]butanedioic acid
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