CHEBI:17551 - ecdysone palmitate

Main ChEBI Ontology Automatic Xrefs Reactions Pathways Models
ChEBI Name ecdysone palmitate
ChEBI ID CHEBI:17551
Stars This entity has been manually annotated by the ChEBI Team.
Secondary ChEBI IDs CHEBI:4742, CHEBI:14206, CHEBI:23892
Supplier Information
Download Molfile XML SDF
Formula C43H74O7
Net Charge 0
Average Mass 703.04346
Monoisotopic Mass 702.54345
InChI InChI=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
InChIKey GLFFUXFTPFZULM-AQHFZAGCSA-N
SMILES [H][C@@]12C[C@@H](OC(=O)CCCCCCCCCCCCCCC)[C@@H](O)C[C@]1(C)C1CC[C@]3(C)[C@H](CC[C@@]3(O)C1=CC2=O)[C@H](C)[C@H](O)CCC(C)(C)O
ChEBI Ontology
Outgoing 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
Synonyms Sources
ecdysone hexadecanoate UniProt
Ecdysone palmitate KEGG COMPOUND
Manual Xref Database
C02681 KEGG COMPOUND
View more database links
Last Modified
24 January 2019