Search MNXref
 Feedback

3-epi-6-deoxocathasterone

MNXM2482 is deprecated and here replaced by MNXM732999
!!! Alternative mappings exist !!!
PropertiesImage
MNX_IDMNXM732999 Image of MNXM732999
referencechebi:59410
formulaC28H50O2
global charge0
mol weight418.706
InChIKeyZHZKWZJLUNXOSN-LOCIZFEWSA-N
InChIInChI=1S/C28H50O2/c1-17(2)18(3)15-26(30)19(4)23-9-10-24-22-8-7-20-16-21(29)11-13-27(20,5)25(22)12-14-28(23,24)6/h17-26,29-30H,7-16H2,1-6H3/t18-,19+,20+,21-,22+,23-,24+,25+,26+,27+,28-/m1/s1
SMILESCC(C)[C@H](C)C[C@H](O)[C@@H](C)[C@H]1CC[C@H]2[C@@H]3CC[C@H]4C[C@H](O)CC[C@]4(C)[C@H]3CC[C@]12C
MNX internals
InChI (mnx)InChI=1/C28H50O2/c1-17(2)18(3)15-26(30)19(4)23-9-10-24-22-8-7-20-16-21(29)11-13-27(20,5)25(22)12-14-28(23,24)6/h17-26,29-30H,7-16H2,1-6H3/t18-,19+,20+,21-,22+,23-,24+,25+,26+,27+,28-/m1/s1 Image of MNXM732999
SMILES (mnx)[CH3:1][CH:17]([CH3:2])[C@H:18]([CH3:3])[CH2:15][C@@H:26]([C@@H:19]([CH3:4])[C@H:23]1[CH2:9][CH2:10][C@H:24]2[C@@H:22]3[CH2:8][CH2:7][C@H:20]4[CH2:16][C@H:21]([OH:29])[CH2:11][CH2:13][C@:27]4([CH3:5])[C@H:25]3[CH2:12][CH2:14][C@:28]12[CH3:6])[OH:30]
Parent-child relations graph
Occurences in reactions#reac
in my sandbox 0
in MNXref (generic)8
in models (compartimentalized) 1
Similar chemical compounds in external resources
IdentifierDescription

CHEBI:59410
chebi:59410
ZHZKWZJLUNXOSN-LOCIZFEWSA-N 		3-epi-6-deoxocathasterone
(22S,24R)-5alpha-ergostane-3alpha,22-diol
(3alpha,5alpha,22S,24R)-ergostane-3,22-diol
3-epi-6-Deoxocathasterone

seed.compound:cpd14967
seedM:cpd14967
ZHZKWZJLUNXOSN-LOCIZFEWSA-N 		3-epi-6-Deoxocathasterone
3-epi-6-deoxocathasterone

metacyc.compound:CPD-12493
metacycM:CPD-12493
ZHZKWZJLUNXOSN-LOCIZFEWSA-N 		3-epi-6-deoxocathasterone

lipidmaps:LMST01031120
lipidmapsM:LMST01031120
ZHZKWZJLUNXOSN-LOCIZFEWSA-N 		3-epi-6-deoxocathasterone
5alpha-campestan-3alpha,22S-diol
O2
ST 28:0

seedM:M_cpd14967 		secondary/obsolete/fantasy identifier