CHEBI:168459 - Stearyl citrate

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This entity has been annotated by a third party. If you would like more information added to this entry, please contact ChEBI via email or GitHub.
ChEBI Name Stearyl citrate
ChEBI ID CHEBI:168459
Stars This entity has been manually annotated by a third party.
Submitter MetaboLights
Supplier Information
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Formula C24H44O7
Net Charge 0
Average Mass 444.609
Monoisotopic Mass 444.30870
InChI InChI=1S/C24H44O7/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-31-22(27)20-24(30,23(28)29)19-21(25)26/h30H,2-20H2,1H3,(H,25,26)(H,28,29)
InChIKey REVZBRXEBPWDRA-UHFFFAOYSA-N
SMILES O(CCCCCCCCCCCCCCCCCC)C(=O)CC(O)(CC(O)=O)C(O)=O
Metabolite of Species Details
Malus domestica (NCBI:txid3750) Found in exocarp (BTO:0000733). of strain Malus x domestica Borkh. cv. Ruixue See: MetaboLights Study
ChEBI Ontology
Outgoing Stearyl citrate (CHEBI:168459) is a carbonyl compound (CHEBI:36586)
IUPAC Name
2-hydroxy-2-(2-octadecoxy-2-oxoethyl)butanedioic acid
Manual Xrefs Databases
9786768 ChemSpider
HMDB0032521 HMDB
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Registry Number Type Source
67939-31-5 CAS Registry Number ChemIDplus