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3-oxocholest-4-en-26-al

MNXM10110 is deprecated and here replaced by MNXM725976
!!! Alternative mappings exist !!!
PropertiesImage
MNX_IDMNXM725976 Image of MNXM725976
referencechebi:83746
formulaC27H42O2
global charge0
mol weight398.631
InChIKeyBGGFPZPRXRJKGG-XVENTEFESA-N
InChIInChI=1S/C27H42O2/c1-18(17-28)6-5-7-19(2)23-10-11-24-22-9-8-20-16-21(29)12-14-26(20,3)25(22)13-15-27(23,24)4/h16-19,22-25H,5-15H2,1-4H3/t18?,19-,22+,23-,24+,25+,26+,27-/m1/s1
SMILESCC(C=O)CCC[C@@H](C)[C@H]1CC[C@H]2[C@@H]3CCC4=CC(=O)CC[C@]4(C)[C@H]3CC[C@]12C
MNX internals
InChI (mnx)InChI=1/C27H42O2/c1-18(17-28)6-5-7-19(2)23-10-11-24-22-9-8-20-16-21(29)12-14-26(20,3)25(22)13-15-27(23,24)4/h16-19,22-25H,5-15H2,1-4H3/t18?,19-,22+,23-,24+,25+,26+,27-/m1/s1 Image of MNXM725976
SMILES (mnx)[CH3:1][CH:18]([CH2:6][CH2:5][CH2:7][C@@H:19]([CH3:2])[C@H:23]1[CH2:10][CH2:11][C@H:24]2[C@@H:22]3[CH2:9][CH2:8][C:20]4=[CH:16][C:21](=[O:29])[CH2:12][CH2:14][C@:26]4([CH3:3])[C@H:25]3[CH2:13][CH2:15][C@:27]12[CH3:4])[CH:17]=[O:28]
Parent-child relations graph
Occurences in reactions#reac
in my sandbox 0
in MNXref (generic)0
in models (compartimentalized) 0
Similar chemical compounds in external resources
IdentifierDescription

CHEBI:83746
chebi:83746
BGGFPZPRXRJKGG-XVENTEFESA-N 		3-oxocholest-4-en-26-al
3-ketocholest-4-en-26-al