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ecdysone

Properties

Image

Occurences in reactions

MNX_ID

MNXM727021

	#reac
in my sandbox	0
in MNXref (generic)	17
in models (compartimentalized)	2

formula

C₂₇H₄₄O₆

charge

mass

464.31379

reference

chebi:16688

InChIKey

UPEZCKBFRMILAV-JMZLNJERSA-N

InChI

InChI=1S/C27H44O6/c1-15(20(28)8-9-24(2,3)32)16-7-11-27(33)18-12-21(29)19-13-22(30)23(31)14-25(19,4)17(18)6-10-26(16,27)5/h12,15-17,19-20,22-23,28,30-33H,6-11,13-14H2,1-5H3/t15-,16+,17-,19-,20+,22+,23-,25+,26+,27+/m0/s1

SMILES

C[C@H]([C@H](O)CCC(C)(C)O)[C@H]1CC[C@@]2(O)C3=CC(=O)[C@@H]4C[C@@H](O)[C@@H](O)C[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:16688 chebi:16688	ecdysone (22R)-2beta,3beta,14,22,25-pentahydroxy-5beta-cholest-7-en-6-one (22R)-2beta,3beta,14alpha,22,25-pentahydroxy-5beta-cholest-7-en-6-one (2beta,3beta,5beta,22R)-2,3,14,22,25-pentahydroxycholest-7-en-6-one Ecdysone
sabiork.compound:5108 sabiorkM:5108 kegg.compound:C00477 keggC:C00477	Ecdysone
lipidmaps:LMST01010210 lipidmapsM:LMST01010210	Ecdysone (22R)-2beta,3beta,14alpha,22,25-pentahydroxy-5beta-cholest-7-en-6-one 2beta,3beta,14alpha,22R,25-pentahydroxy-5beta-cholest-7-en-6-one Ecdysone O6 ST 27:2
seed.compound:cpd00369 seedM:cpd00369	Ecdysone ecdysone molting hormone
metacyc.compound:ECDYSONE metacycM:ECDYSONE	ecdysone molting hormone
chebi:14205 chebi:23889 chebi:4741 keggC:M_C00477 seedM:M_cpd00369	secondary/obsolete/fantasy identifier