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2-deoxyecdysone

Properties

Image

Occurences in reactions

MNX_ID

MNXM739339

	#reac
in my sandbox	0
in MNXref (generic)	5
in models (compartimentalized)	1

formula

C₂₇H₄₄O₅

charge

mass

448.31887

reference

chebi:19566

InChIKey

CRAPXAGGASWTPU-VQOIUDCISA-N

InChI

InChI=1S/C27H44O5/c1-16(22(29)9-10-24(2,3)31)18-8-13-27(32)20-15-23(30)21-14-17(28)6-11-25(21,4)19(20)7-12-26(18,27)5/h15-19,21-22,28-29,31-32H,6-14H2,1-5H3/t16-,17-,18+,19-,21-,22+,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)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:19566 chebi:19566	2-deoxyecdysone (22R)-3beta,14,22,25-tetrahydroxy-5beta-cholest-7-en-6-one 2-Deoxy-alpha-ecdysone
sabiork.compound:20790 sabiorkM:20790 kegg.compound:C16495 keggC:C16495	2-Deoxyecdysone
seed.compound:cpd16283 seedM:cpd16283	2-Deoxyecdysone (22R)-3beta,14,22,25-tetrahydroxy-5beta-cholest-7-en-6-one 2-deoxy-alpha-ecdysone 2-deoxyecdysone
lipidmaps:LMST01010182 lipidmapsM:LMST01010182	2-deoxyecdysone (22R)-3beta,14,22,25-tetrahydroxy-5beta-cholest-7-en-6-one 2-Deoxy-alpha-ecdysone O5 ST 27:2
metacyc.compound:CPD-15497 metacycM:CPD-15497	2-deoxyecdysone (22R)-3beta,14,22,25-tetrahydroxy-5beta-cholest-7-en-6-one 2-deoxy-alpha-ecdysone
keggC:M_C16495 seedM:M_cpd16283	secondary/obsolete/fantasy identifier