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

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ChEBI Name 2-[2-(19-Acetamido-16,18-dihydroxy-5,9-dimethyl-6-oxoicosan-7-yl)oxy-2-oxoethyl]butanedioic acid
ChEBI ID CHEBI:181007
Stars This entity has been manually annotated by a third party.
Submitter MetaboLights
Supplier Information
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Formula C30H53NO10
Net Charge 0
Average Mass 587.751
Monoisotopic Mass 587.36695
InChI InChI=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)
InChIKey CYKDMNNWBMLNSF-UHFFFAOYSA-N
SMILES O(C(CC(CCCCCCC(O)CC(O)C(NC(=O)C)C)C)C(=O)C(CCCC)C)C(=O)CC(CC(O)=O)C(O)=O
ChEBI Ontology
Outgoing 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
Manual Xref Database
22369844 ChemSpider
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