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3-dehydroteasterone

MNXM36396 is deprecated and here replaced by MNXM734861
!!! Alternative mappings exist !!!
PropertiesImage
MNX_IDMNXM734861 Image of MNXM734861
referencechebi:20000
formulaC28H46O4
global charge0
mol weight446.672
InChIKeySVBMASFUJDIDJC-XFJIFGBKSA-N
InChIInChI=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
SMILESCC(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@]12C
MNX internals
InChI (mnx)InChI=1/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 Image of MNXM734861
SMILES (mnx)[CH3:1][CH:15]([CH3:2])[C@H:16]([CH3:3])[C@H:25]([C@@H:26]([C@@H:17]([CH3:4])[C@H:20]1[CH2:7][CH2:8][C@H:21]2[C@@H:19]3[CH2:14][C:24](=[O:30])[C@H:23]4[CH2:13][C:18](=[O:29])[CH2:9][CH2:11][C@:28]4([CH3:6])[C@H:22]3[CH2:10][CH2:12][C@:27]12[CH3:5])[OH:32])[OH:31]
Parent-child relations graph
Occurences in reactions#reac
in my sandbox 0
in MNXref (generic)14
in models (compartimentalized) 2
Similar chemical compounds in external resources
IdentifierDescription

CHEBI:20000
chebi:20000
SVBMASFUJDIDJC-XFJIFGBKSA-N 		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
SVBMASFUJDIDJC-XFJIFGBKSA-N 		3-Dehydroteasterone
3,6-dioxo-campestan-22R,23R-diol
O4
ST 28:2

seed.compound:cpd14528
seedM:cpd14528
SVBMASFUJDIDJC-XFJIFGBKSA-N 		3-Dehydroteasterone
3-dehydroteasterone
dehydroteasterone

metacyc.compound:CPD-718
metacycM:CPD-718
SVBMASFUJDIDJC-XFJIFGBKSA-N 		3-dehydroteasterone
dehydroteasterone

seedM:M_cpd14528 		secondary/obsolete/fantasy identifier