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4alpha-hydroxymethyl-4beta-methyl-5alpha-cholest-7-en-3beta-ol

MNXM1065 is deprecated and here replaced by MNXM1370954
!!! Alternative mappings exist !!!
PropertiesImage
MNX_IDMNXM1370954 Image of MNXM1370954
referencechebi:146140
formulaC29H50O2
global charge0
mol weight430.717
InChIKeyDWEXIFLNCXYYAA-AQTSNUJDSA-N
InChIInChI=1S/C29H50O2/c1-19(2)8-7-9-20(3)22-11-12-23-21-10-13-25-28(5,24(21)14-16-27(22,23)4)17-15-26(31)29(25,6)18-30/h10,19-20,22-26,30-31H,7-9,11-18H2,1-6H3/t20-,22-,23+,24+,25-,26+,27-,28-,29+/m1/s1
SMILESCC(C)CCC[C@@H](C)[C@H]1CC[C@H]2C3=CC[C@H]4[C@](C)(CO)[C@@H](O)CC[C@]4(C)[C@H]3CC[C@]12C
MNX internals
InChI (mnx)InChI=1/C29H50O2/c1-19(2)8-7-9-20(3)22-11-12-23-21-10-13-25-28(5,24(21)14-16-27(22,23)4)17-15-26(31)29(25,6)18-30/h10,19-20,22-26,30-31H,7-9,11-18H2,1-6H3/t20-,22-,23+,24+,25-,26+,27-,28-,29+/m1/s1 Image of MNXM1370954
SMILES (mnx)[CH3:1][CH:19]([CH3:2])[CH2:8][CH2:7][CH2:9][C@@H:20]([CH3:3])[C@H:22]1[CH2:11][CH2:12][C@H:23]2[C:21]3=[CH:10][CH2:13][C@@H:25]4[C@:28]([CH3:5])([CH2:17][CH2:15][C@H:26]([OH:31])[C@@:29]4([CH3:6])[CH2:18][OH:30])[C@H:24]3[CH2:14][CH2:16][C@:27]12[CH3:4]
Parent-child relations graph
Occurences in reactions#reac
in my sandbox 0
in MNXref (generic)12
in models (compartimentalized) 0
Similar chemical compounds in external resources
IdentifierDescription

CHEBI:146140
chebi:146140
DWEXIFLNCXYYAA-AQTSNUJDSA-N 		4alpha-hydroxymethyl-4beta-methyl-5alpha-cholest-7-en-3beta-ol

metacyc.compound:CPD-5847
metacycM:CPD-5847
DWEXIFLNCXYYAA-AQTSNUJDSA-N 		4alpha-hydroxymethyl-4beta-methyl-5alpha-cholest-7-en-3beta-ol
(3beta,4alpha,5alpha)-4-(hydroxymethyl)-4-methylcholest-7-en-3-ol

seed.compound:cpd02924
seedM:cpd02924
DWEXIFLNCXYYAA-AQTSNUJDSA-N 		4beta-Hydroxymethyl-4alpha-methyl-5alpha-cholest-7-en-3beta-ol
4beta-hydroxymethyl-4alpha-methyl-5alpha-cholest-7-en-3beta-ol
beta-hydroxymethyl-4alpha-methyl-5alpha-cholest-7-en-3beta-ol

seedM:M_cpd02924 		secondary/obsolete/fantasy identifier