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3-dehydro-6-deoxoteasterone

MNXM1987 is deprecated and here replaced by MNXM732213
!!! Alternative mappings exist !!!
PropertiesImage
MNX_IDMNXM732213 Image of MNXM732213
referencechebi:20710
formulaC28H48O3
global charge0
mol weight432.689
InChIKeyURNVSZVQLKHKDE-WAFXAADMSA-N
InChIInChI=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
SMILESCC(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@]12C
MNX internals
InChI (mnx)InChI=1/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 Image of MNXM732213
SMILES (mnx)[CH3:1][CH:16]([CH3:2])[C@H:17]([CH3:3])[C@H:25]([C@@H:26]([C@@H:18]([CH3:4])[C@H:22]1[CH2:9][CH2:10][C@H:23]2[C@@H:21]3[CH2:8][CH2:7][C@H:19]4[CH2:15][C:20](=[O:29])[CH2:11][CH2:13][C@:27]4([CH3:5])[C@H:24]3[CH2:12][CH2:14][C@:28]12[CH3:6])[OH:31])[OH:30]
Parent-child relations graph
Occurences in reactions#reac
in my sandbox 0
in MNXref (generic)24
in models (compartimentalized) 5
Similar chemical compounds in external resources
IdentifierDescription

CHEBI:20710
chebi:20710
URNVSZVQLKHKDE-WAFXAADMSA-N 		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
URNVSZVQLKHKDE-WAFXAADMSA-N 		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
URNVSZVQLKHKDE-WAFXAADMSA-N 		3-Dehydro-6-deoxoteasterone
3-dehydro-6-deoxoteasterone
dehydro-deoxoteasterone

metacyc.compound:CPD-717
metacycM:CPD-717
URNVSZVQLKHKDE-WAFXAADMSA-N 		3-dehydro-6-deoxoteasterone
dehydro-deoxoteasterone

seedM:M_cpd14536 		secondary/obsolete/fantasy identifier