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6-oxocampestanol

PropertiesImage
MNX_IDMNXM38924 Image of MNXM38924
referencechebi:20747
formulaC28H48O2
global charge0
mol weight416.69
InChIKeyNBJZGNFIZZWBOJ-JSHJXQBASA-N
InChIInChI=1S/C28H48O2/c1-17(2)18(3)7-8-19(4)22-9-10-23-21-16-26(30)25-15-20(29)11-13-28(25,6)24(21)12-14-27(22,23)5/h17-25,29H,7-16H2,1-6H3/t18-,19-,20+,21+,22-,23+,24+,25-,27-,28-/m1/s1
SMILESCC(C)[C@H](C)CC[C@@H](C)[C@H]1CC[C@H]2[C@@H]3CC(=O)[C@H]4C[C@@H](O)CC[C@]4(C)[C@H]3CC[C@]12C
MNX internals
InChI (mnx)InChI=1/C28H48O2/c1-17(2)18(3)7-8-19(4)22-9-10-23-21-16-26(30)25-15-20(29)11-13-28(25,6)24(21)12-14-27(22,23)5/h17-25,29H,7-16H2,1-6H3/t18-,19-,20+,21+,22-,23+,24+,25-,27-,28-/m1/s1 Image of MNXM38924
SMILES (mnx)[CH3:1][CH:17]([CH3:2])[C@H:18]([CH3:3])[CH2:7][CH2:8][C@@H:19]([CH3:4])[C@H:22]1[CH2:9][CH2:10][C@H:23]2[C@@H:21]3[CH2:16][C:26](=[O:30])[C@H:25]4[CH2:15][C@@H:20]([OH:29])[CH2:11][CH2:13][C@:28]4([CH3:6])[C@H:24]3[CH2:12][CH2:14][C@:27]12[CH3:5]
Parent-child relations graph
Occurences in reactions#reac
in my sandbox 0
in MNXref (generic)8
in models (compartimentalized) 2
Similar chemical compounds in external resources
IdentifierDescription

CHEBI:20747
chebi:20747
NBJZGNFIZZWBOJ-JSHJXQBASA-N 		6-oxocampestanol
(24R)-3beta-hydroxy-5alpha-ergostan-6-one
6-oxo-5alpha-campestan-3beta-ol

CHEBI:181387
chebi:181387
NBJZGNFIZZWBOJ-VSBRHGTHSA-N 		(3S,5S,8S,9S,10R,13R,17R)-17-[(2R,5R)-5,6-Dimethylheptan-2-yl]-3-hydroxy-10,13-dimethyl-1,2,3,4,5,7,8,9,11,12,14,15,16,17-tetradecahydrocyclopenta[a]phenanthren-6-one
(3S,5S,8S,9S,10R,13R,17R)-17-[(2R,5R)-5,6-dimethylheptan-2-yl]-3-hydroxy-10,13-dimethyl-1,2,3,4,5,7,8,9,11,12,14,15,16,17-tetradecahydrocyclopenta[a]phenanthren-6-one

kegg.compound:C15789
keggC:C15789
NBJZGNFIZZWBOJ-VSBRHGTHSA-N 		6-Oxocampestanol

seed.compound:cpd14525
seedM:cpd14525
NBJZGNFIZZWBOJ-JSHJXQBASA-N 		6-Oxocampestanol
6-oxocampestanol
oxocampestanol

lipidmaps:LMST01030133
lipidmapsM:LMST01030133
NBJZGNFIZZWBOJ-JSHJXQBASA-N 		6-oxocampestanol
6-oxo-campestan-3beta-ol
O2
ST 28:1

metacyc.compound:CPD-713
metacycM:CPD-713
NBJZGNFIZZWBOJ-JSHJXQBASA-N 		6-oxocampestanol
oxocampestanol

keggC:M_C15789
seedM:M_cpd14525 		secondary/obsolete/fantasy identifier