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(22S,24R)-22-hydroxy-5alpha-ergostan-3-one

MNXM1962 is deprecated and here replaced by MNXM730419
!!! Alternative mappings exist !!!
PropertiesImage
MNX_IDMNXM730419 Image of MNXM730419
referencechebi:59411
formulaC28H48O2
global charge0
mol weight416.69
InChIKeyXGIZPVUTLMXXTK-VNSZYHACSA-N
InChIInChI=1S/C28H48O2/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/h17-20,22-26,30H,7-16H2,1-6H3/t18-,19+,20+,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]4CC(=O)CC[C@]4(C)[C@H]3CC[C@]12C
MNX internals
InChI (mnx)InChI=1/C28H48O2/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/h17-20,22-26,30H,7-16H2,1-6H3/t18-,19+,20+,22+,23-,24+,25+,26+,27+,28-/m1/s1 Image of MNXM730419
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:21](=[O: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)21
in models (compartimentalized) 6
Similar chemical compounds in external resources
IdentifierDescription

CHEBI:59411
chebi:59411
XGIZPVUTLMXXTK-VNSZYHACSA-N 		(22S,24R)-22-hydroxy-5alpha-ergostan-3-one
(22S)-22-hydroxy-5alpha-campestan-3-one
(22S,24R)-22-Hydroxy-5alpha-ergostan-3-one
(5alpha,22S,24R)-22-hydroxyergostan-3-one
22S-hydroxy-5alpha-campestan-3-one
22alpha-Hydroxy-5alpha-campestan-3-one

metacyc.compound:CPD-3946
metacycM:CPD-3946
XGIZPVUTLMXXTK-VNSZYHACSA-N 		(22S)-22-hydroxy-5alpha-campestan-3-one
(22S,24R)-22-hydroxy-5alpha-ergostan-3-one
(22alpha)-hydroxy-5alpha-campestan-3-one
(5alpha,22S,24R)-22-hydroxyergostan-3-one

CHEBI:181389
chebi:181389
XGIZPVUTLMXXTK-VUBQVMJGSA-N 		(5S,8R,9S,10S,13S,17R)-17-[(2S,3S,5R)-3-Hydroxy-5,6-dimethylheptan-2-yl]-10,13-dimethyl-1,2,4,5,6,7,8,9,11,12,14,15,16,17-tetradecahydrocyclopenta[a]phenanthren-3-one
(5S,8R,9S,10S,13S,17R)-17-[(2S,3S,5R)-3-hydroxy-5,6-dimethylheptan-2-yl]-10,13-dimethyl-1,2,4,5,6,7,8,9,11,12,14,15,16,17-tetradecahydrocyclopenta[a]phenanthren-3-one

lipidmaps:LMST01031117
lipidmapsM:LMST01031117
XGIZPVUTLMXXTK-VNSZYHACSA-N 		22S-hydroxy-5alpha-campestan-3-one
(22S, 24R)-22-hydroxy-5alpha-ergostan-3-one
O2
ST 28:1
hmdb:HMDB0012112
XGIZPVUTLMXXTK-VNSZYHACSA-N 		22alpha-Hydroxy-5alpha-campestan-3-one
(1S,2S,7S,10R,11S,14R,15S)-14-[(2S,3S,5R)-3-hydroxy-5,6-dimethylheptan-2-yl]-2,15-dimethyltetracyclo[8.7.0.0^{2,7}.0^{11,15}]heptadecan-5-one
(22S)-22-Hydroxy-5a-campestan-3-one
(22S)-22-Hydroxy-5alpha-campestan-3-one
(22S,24R)-22-Hydroxy-5a-ergostan-3-one
(22S,24R)-22-Hydroxy-5alpha-ergostan-3-one
(5a,22S,24R)-22-Hydroxyergostan-3-one
(5alpha,22S,24R)-22-Hydroxyergostan-3-one
(5alpha,22S,24R)-22-hydroxyergostan-3-one
22S-Hydroxy-5a-campestan-3-one
22S-Hydroxy-5alpha-campestan-3-one
22a-Hydroxy-5a-campestan-3-one
22alpha-hydroxy-5alpha-campestan-3-one

seed.compound:cpd14533
seedM:cpd14533
XGIZPVUTLMXXTK-VNSZYHACSA-N 		22alpha-Hydroxy-5alpha-campestan-3-one
(22S)-22-hydroxy-5alpha-campestan-3-one
(22S,24R)-22-Hydroxy-5alpha-ergostan-3-one
(22S,24R)-22-hydroxy-5alpha-ergostan-3-one
(22alpha)-hydroxy-5alpha-campestan-3-one

kegg.compound:C15797
keggC:C15797
XGIZPVUTLMXXTK-VUBQVMJGSA-N 		22alpha-Hydroxy-5alpha-campestan-3-one
(22S,24R)-22-Hydroxy-5alpha-ergostan-3-one

hmdb:HMDB12112
keggC:M_C15797
seedM:M_cpd14533 		secondary/obsolete/fantasy identifier