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3-dehydroteasterone

MNXM36396 is deprecated and here replaced by MNXM734861
!!! Alternative mappings exist !!!

Properties

Image

Occurences in reactions

MNX_ID

MNXM734861

	#reac
in my sandbox	0
in MNXref (generic)	10
in models (compartimentalized)	0

formula

C₂₈H₄₆O₄

charge

mass

446.33961

reference

chebi:20000

InChIKey

SVBMASFUJDIDJC-XFJIFGBKSA-N

InChI

InChI=1S/C28H46O4/c1-15(2)16(3)25(31)26(32)17(4)20-7-8-21-19-14-24(30)23-13-18(29)9-11-28(23,6)22(19)10-12-27(20,21)5/h15-17,19-23,25-26,31-32H,7-14H2,1-6H3/t16-,17-,19-,20+,21-,22-,23+,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(=O)[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:20000 chebi:20000	3-dehydroteasterone (22R,23R)-22,23-dihydroxy-5alpha-campestane-3,6-dione (22R,23R,24S)-22,23-dihydroxy-5alpha-ergostane-3,6-dione 3,6-dioxo-Campestan-22R,23R-diol
lipidmaps:LMST01030131 lipidmapsM:LMST01030131	3-Dehydroteasterone 3,6-dioxo-campestan-22R,23R-diol O4 ST 28:2
seed.compound:cpd14528 seedM:cpd14528	3-Dehydroteasterone 3-dehydroteasterone dehydroteasterone
metacyc.compound:CPD-718 metacycM:CPD-718	3-dehydroteasterone dehydroteasterone
seedM:M_cpd14528	secondary/obsolete/fantasy identifier