20-hydroxyecdysone 22-phosphate (CHEBI:19799)

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CHEBI:19799 - 20-hydroxyecdysone 22-phosphate

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ChEBI ID	CHEBI:19799
ChEBI Name	20-hydroxyecdysone 22-phosphate
Stars
Last Modified	11 December 2007
Downloads	Molfile

Formula	C27H45O10P
Net Charge	0
Average Mass	560.621
Monoisotopic Mass	560.27503
SMILES	[H][C@]1([C@@](C)(O)[C@@H](CCC(C)(C)O)OP(=O)(O)O)CC[C@@]2(O)C3=CC(=O)[C@]4([H])C[C@@H](O)[C@@H](O)C[C@]4(C)[C@@]3([H])CC[C@]12C
InChI	InChI=1S/C27H45O10P/c1-23(2,31)9-8-22(37-38(34,35)36)26(5,32)21-7-11-27(33)16-12-18(28)17-13-19(29)20(30)14-24(17,3)15(16)6-10-25(21,27)4/h12,15,17,19-22,29-33H,6-11,13-14H2,1-5H3,(H2,34,35,36)/t15-,17-,19+,20-,21-,22+,24+,25+,26+,27+/m0/s1
InChIKey	VQMWDPXOYFYYKP-YPVLXUMRSA-N

ChEBI Ontology

Outgoing Relation(s)
	20-hydroxyecdysone 22-phosphate (CHEBI:19799) is a ecdysone phosphate (CHEBI:23893)
	20-hydroxyecdysone 22-phosphate (CHEBI:19799) is conjugate acid of 20-hydroxyecdysone 22-phosphate(2−) (CHEBI:147382)
Incoming Relation(s)
	20-hydroxyecdysone 22-phosphate(2−) (CHEBI:147382) is conjugate base of 20-hydroxyecdysone 22-phosphate (CHEBI:19799)

IUPAC Name
(22R)-2β,3β,14,20,25-pentahydroxy-6-oxo-5β-cholest-7-en-22-yl dihydrogen phosphate

Synonym	Source
20-Hydroxyecdysone-22-phosphate	ChemIDplus

Registry Numbers	Sources
CAS:86577-97-1	ChemIDplus