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CHEBI:17551 - ecdysone palmitate

ChEBI IDCHEBI:17551
ChEBI Nameecdysone palmitate
Stars
Secondary ChEBI IDsCHEBI:4742, CHEBI:14206, CHEBI:23892
Last Modified24 January 2019
DownloadsMolfile
FormulaC43H74O7
Net Charge0
Average Mass703.058
Monoisotopic Mass702.54345
SMILES[H][C@@]12C[C@@H](OC(=O)CCCCCCCCCCCCCCC)[C@@H](O)C[C@]1(C)C1CC[C@]3(C)[C@@H]([C@H](C)[C@H](O)CCC(C)(C)O)CC[C@@]3(O)C1=CC2=O
InChIInChI=1S/C43H74O7/c1-7-8-9-10-11-12-13-14-15-16-17-18-19-20-39(47)50-38-28-34-36(45)27-33-32(41(34,5)29-37(38)46)21-25-42(6)31(22-26-43(33,42)49)30(2)35(44)23-24-40(3,4)48/h27,30-32,34-35,37-38,44,46,48-49H,7-26,28-29H2,1-6H3/t30-,31+,32?,34-,35+,37-,38+,41+,42+,43+/m0/s1
InChIKeyGLFFUXFTPFZULM-AQHFZAGCSA-N
ChEBI Ontology
Outgoing Relation(s)
ecdysone palmitate (CHEBI:17551) is a ecdysteroid ester (CHEBI:23895)
ecdysone palmitate (CHEBI:17551) is a hexadecanoate ester (CHEBI:25835)
IUPAC Name 
(22R)-2β,14,22,25-tetrahydroxy-6-oxo-5β-cholest-7-en-3β-yl hexadecanoate
Synonym  Source
Ecdysone palmitateKEGG COMPOUND
UniProt Name  Source
ecdysone hexadecanoateUniProt
Manual XrefsDatabases
C02681KEGG COMPOUND
C02681KEGG COMPOUND