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CHEBI:19954 - 3-O-acetylecdysone 2-phosphate

ChEBI IDCHEBI:19954
ChEBI Name3-O-acetylecdysone 2-phosphate
Stars
ASCII Name3-O-acetylecdysone 2-phosphate
Last Modified10 December 2007
DownloadsMolfile
FormulaC29H47O10P
Net Charge0
Average Mass586.659
Monoisotopic Mass586.29068
SMILES[H][C@@]12C[C@@H](OC(C)=O)[C@@H](OP(=O)(O)O)C[C@]1(C)[C@@]1([H])CC[C@@]3(C)[C@@](O)(CC[C@]3([H])[C@H](C)[C@H](O)CCC(C)(C)O)C1=CC2=O
InChIInChI=1S/C29H47O10P/c1-16(22(31)9-10-26(3,4)33)18-8-12-29(34)20-13-23(32)21-14-24(38-17(2)30)25(39-40(35,36)37)15-27(21,5)19(20)7-11-28(18,29)6/h13,16,18-19,21-22,24-25,31,33-34H,7-12,14-15H2,1-6H3,(H2,35,36,37)/t16-,18+,19-,21-,22+,24+,25-,27+,28+,29+/m0/s1
InChIKeyMYOZIWALDKJCBG-KXCOSXAXSA-N
ChEBI Ontology
Outgoing Relation(s)
3-O-acetylecdysone 2-phosphate (CHEBI:19954) is a ecdysone phosphate (CHEBI:23893)
IUPAC Name 
(22R)-14,22,25-trihydroxy-6-oxo-2β-(phosphonooxy)-5β-cholest-7-en-3β-yl acetate
Synonyms  Source
ecdysone 2-phosphate 3-acetateChEBI
3-acetylecdysone 2-phosphateChEBI