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3-dehydro-6-deoxoteasterone

MNXM1987 is deprecated and here replaced by MNXM732213
!!! Alternative mappings exist !!!

Properties

Image

Occurences in reactions

MNX_ID

MNXM732213

	#reac
in my sandbox	0
in MNXref (generic)	18
in models (compartimentalized)	1

formula

C₂₈H₄₈O₃

charge

mass

432.36035

reference

chebi:20710

InChIKey

URNVSZVQLKHKDE-WAFXAADMSA-N

InChI

InChI=1S/C28H48O3/c1-16(2)17(3)25(30)26(31)18(4)22-9-10-23-21-8-7-19-15-20(29)11-13-27(19,5)24(21)12-14-28(22,23)6/h16-19,21-26,30-31H,7-15H2,1-6H3/t17-,18-,19-,21-,22+,23-,24-,25+,26+,27-,28+/m0/s1

SMILES

CC(C)[C@H](C)[C@@H](O)[C@H](O)[C@@H](C)[C@H]1CC[C@H]2[C@@H]3CC[C@H]4CC(=O)CC[C@]4(C)[C@H]3CC[C@@]21C

Parent-child relations graph

Deprecated MNXref IDs graph

Similar chemical compounds in external resources
Identifier	Description
CHEBI:20710 chebi:20710	3-dehydro-6-deoxoteasterone (22R,23R)-22,23-dihydroxy-5alpha-campestan-3-one (22R,23R,24S)-22,23-dihydroxy-5alpha-ergostan-3-one (5alpha,22R,23R,24S)-22,23-dihydroxyergostan-3-one 3-oxo-campestan-22R,23R-diol
lipidmaps:LMST01030125 lipidmapsM:LMST01030125	3-Dehydro-6-deoxoteasterone 22R,23R-dihydroxy-5a-campestan-3-one 3-oxo-5alpha-campestan-22R,23R-diol 6-deoxo-3-dehydroteasterone O3 ST 28:1
seed.compound:cpd14536 seedM:cpd14536	3-Dehydro-6-deoxoteasterone 3-dehydro-6-deoxoteasterone dehydro-deoxoteasterone
metacyc.compound:CPD-717 metacycM:CPD-717	3-dehydro-6-deoxoteasterone dehydro-deoxoteasterone
seedM:M_cpd14536	secondary/obsolete/fantasy identifier