2,22-dideoxyecdysone (CHEBI:80530)

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CHEBI:80530 - 2,22-dideoxyecdysone

ChEBI ID	CHEBI:80530
ChEBI Name	2,22-dideoxyecdysone
Stars
Definition	A 3β-hydroxy steroid that is 5β-cholestane containing a double bond between positions 7 and 8, and substituted by an oxo group at position 6 and by hydroxy groups at the 3β, 14α, and 25 positions.
Last Modified	18 October 2024
Downloads	Molfile

Formula	C27H44O4
Net Charge	0
Average Mass	432.645
Monoisotopic Mass	432.32396
SMILES	[H][C@@]12C[C@@H](O)CC[C@]1(C)[C@@]1([H])CC[C@@]3(C)[C@@](O)(CC[C@]3([H])[C@H](C)CCCC(C)(C)O)C1=CC2=O
InChI	InChI=1S/C27H44O4/c1-17(7-6-11-24(2,3)30)19-10-14-27(31)21-16-23(29)22-15-18(28)8-12-25(22,4)20(21)9-13-26(19,27)5/h16-20,22,28,30-31H,6-15H2,1-5H3/t17-,18+,19-,20+,22+,25-,26-,27-/m1/s1
InChIKey	CRCTVUFFBCIURJ-DJHAZVFJSA-N

Species of Metabolite	Component	Source	Comments
Manduca sexta (ncbitaxon:7130)	-	PubMed (16345130)
Polypodium vulgare (ncbitaxon:58048)	-	PubMed (10561604)

Roles Classification

Biological Roles:

animal metabolite Any eukaryotic metabolite produced during a metabolic reaction in animals that include diverse creatures from sponges, insects to mammals.

plant metabolite Any eukaryotic metabolite produced during a metabolic reaction in plants, the kingdom that include flowering plants, conifers and other gymnosperms.

ChEBI Ontology

Outgoing Relation(s)
	2,22-dideoxyecdysone (CHEBI:80530) has parent hydride 5β-cholestane (CHEBI:35517)
	2,22-dideoxyecdysone (CHEBI:80530) has role animal metabolite (CHEBI:75767)
	2,22-dideoxyecdysone (CHEBI:80530) has role plant metabolite (CHEBI:76924)
	2,22-dideoxyecdysone (CHEBI:80530) is a 14α-hydroxy steroid (CHEBI:36861)
	2,22-dideoxyecdysone (CHEBI:80530) is a 25-hydroxy steroid (CHEBI:36864)
	2,22-dideoxyecdysone (CHEBI:80530) is a 3β-hydroxy steroid (CHEBI:36836)
	2,22-dideoxyecdysone (CHEBI:80530) is a 6-oxo steroid (CHEBI:36883)
	2,22-dideoxyecdysone (CHEBI:80530) is a C₂₇-steroid (CHEBI:131619)
	2,22-dideoxyecdysone (CHEBI:80530) is a enone (CHEBI:51689)

IUPAC Name
3β,14,25-trihydroxy-5β-cholest-7-en-6-one

Synonyms	Source
2,22-bisdeoxyecdysone	LIPID MAPS
2,22dE	ChEBI
3β,14α,25-trihydroxy-5β-cholest-7-en-6-one	LIPID MAPS
3β,5β-ketotriol	ChEBI
3β5β-KT	ChEBI

UniProt Name	Source
2,22-dideoxyecdysone	UniProt

Manual Xrefs	Databases
C16494	KEGG COMPOUND
CPD-15498	MetaCyc
LMST01010561	LIPID MAPS

Citations