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2,22,25-trideoxyecdysone

Properties

Image

Occurences in reactions

MNX_ID

MNXM6663

	#reac
in my sandbox	0
in MNXref (generic)	5
in models (compartimentalized)	0

formula

C₂₇H₄₄O₃

charge

mass

416.32905

reference

chebi:19290

InChIKey

FADCOUQPHXGWQS-ZCDXYYCTSA-N

InChI

InChI=1S/C27H44O3/c1-17(2)7-6-8-18(3)20-11-14-27(30)22-16-24(29)23-15-19(28)9-12-25(23,4)21(22)10-13-26(20,27)5/h16-21,23,28,30H,6-15H2,1-5H3/t18-,19+,20-,21+,23+,25-,26-,27-/m1/s1

SMILES

CC(C)CCC[C@@H](C)[C@H]1CC[C@@]2(O)C3=CC(=O)[C@@H]4C[C@@H](O)CC[C@]4(C)[C@H]3CC[C@]12C

Parent-child relations graph

Deprecated MNXref IDs graph

Similar chemical compounds in external resources
Identifier	Description
CHEBI:19290 chebi:19290	2,22,25-trideoxyecdysone 2,22,25-Trideoxyecdysone 3beta,14-dihydroxy-5beta-cholest-7-en-6-one 3beta,14alpha-Dihydroxy-5beta-cholest-7-en-6-one
lipidmaps:LMST01010179 lipidmapsM:LMST01010179	2,22,25-trideoxyecdysone 3beta,14-dihydroxy-5beta-cholest-7-en-6-one 3beta,14alpha-Dihydroxy-5beta-cholest-7-en-6-one O3 ST 27:2
metacyc.compound:CPD-15499 metacycM:CPD-15499	2,22,25-trideoxyecdysone 3beta,14alpha-dihydroxy-5beta-cholest-7-en-6-one 3beta,5beta-ketodiol 5beta-ketodiol
seed.compound:cpd16281 seedM:cpd16281	3beta,5beta-Ketodiol 2,22,25-Trideoxyecdysone 2,22,25-trideoxyecdysone 3beta,14alpha-Dihydroxy-5beta-cholest-7-en-6-one 3beta,14alpha-dihydroxy-5beta-cholest-7-en-6-one 3beta,5beta-ketodiol 5beta-ketodiol
kegg.compound:C16493 keggC:C16493	3beta,5beta-Ketodiol 2,22,25-Trideoxyecdysone 3beta,14alpha-Dihydroxy-5beta-cholest-7-en-6-one
keggC:M_C16493 seedM:M_cpd16281	secondary/obsolete/fantasy identifier