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4alpha-hydroxyformyl-4beta-methyl-5alpha-cholest-8-en-3beta-ol

MNXM10253 is deprecated and here replaced by MNXM726079
!!! Alternative mappings exist !!!
PropertiesImage
MNX_IDMNXM726079 Image of MNXM726079
referencechebi:87046
formulaC29H48O2
global charge0
mol weight428.701
InChIKeyWWTBBRMTEFBUND-WKYRUEGDSA-N
InChIInChI=1S/C29H48O2/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/h18-20,22-23,25-26,31H,7-17H2,1-6H3/t20-,22-,23+,25-,26+,27-,28-,29+/m1/s1
SMILESCC(C)CCC[C@@H](C)[C@H]1CC[C@H]2C3=C(CC[C@]12C)[C@@]1(C)CC[C@H](O)[C@@](C)(C=O)[C@@H]1CC3
MNX internals
InChI (mnx)InChI=1/C29H48O2/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/h18-20,22-23,25-26,31H,7-17H2,1-6H3/t20-,22-,23+,25-,26+,27-,28-,29+/m1/s1 Image of MNXM726079
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=[C:24]([CH2:14][CH2:16][C@:27]12[CH3:4])[C@@:28]1([CH3:5])[CH2:17][CH2:15][C@H:26]([OH:31])[C@@:29]([CH3:6])([CH:18]=[O:30])[C@@H:25]1[CH2:13][CH2:10]3
Parent-child relations graph
Occurences in reactions#reac
in my sandbox 0
in MNXref (generic)14
in models (compartimentalized) 0
Similar chemical compounds in external resources
IdentifierDescription

CHEBI:87046
chebi:87046
WWTBBRMTEFBUND-WKYRUEGDSA-N 		4alpha-hydroxyformyl-4beta-methyl-5alpha-cholest-8-en-3beta-ol
(3beta,4alpha,5alpha)-3-hydroxy-4-methylcholest-8-ene-4-carbaldehyde
3beta-hydroxy-4-methyl-5alpha-cholest-8-ene-4alpha-carbaldehyde
4alpha-formyl-4beta-methyl-5alpha-8-cholesten-3beta-ol

metacyc.compound:CPD-8612
metacycM:CPD-8612
seed.compound:cpd25360
seedM:cpd25360
WWTBBRMTEFBUND-WKYRUEGDSA-N 		4alpha-formyl-4beta-methyl-5alpha-cholesta-8-en-3beta-ol
hmdb:HMDB0062388
WWTBBRMTEFBUND-WKYRUEGDSA-N 		4alpha-formyl-4beta-methyl-5alpha-cholesta-8-en-3beta-ol
(2S,5S,6S,7R,11R,14R,15R)-5-hydroxy-2,6,15-trimethyl-14-[(2R)-6-methylheptan-2-yl]tetracyclo[8.7.0.0^{2,7}.0^{11,15}]heptadec-1(10)-ene-6-carbaldehyde
3b-Hydroxy-4-methyl-5a-cholest-8-ene-4a-carbaldehyde
3beta-Hydroxy-4-methyl-5alpha-cholest-8-ene-4alpha-carbaldehyde
3beta-hydroxy-4-methyl-5alpha-cholest-8-ene-4alpha-carbaldehyde
4a-Formyl-4b-methyl-5a-8-cholesten-3b-ol
4a-Hydroxyformyl-4b-methyl-5a-cholest-8-en-3b-ol
4alpha-Hydroxyformyl-4beta-methyl-5alpha-cholest-8-en-3beta-ol
4alpha-formyl-4beta-methyl-5alpha-8-cholesten-3beta-ol
4alpha-hydroxyformyl-4beta-methyl-5alpha-cholest-8-en-3beta-ol

lipidmaps:LMST01010230
lipidmapsM:LMST01010230
WWTBBRMTEFBUND-WKYRUEGDSA-N 		4alpha-formyl-4beta-methyl-5alpha-cholesta-8-en-3beta-ol
O2
ST 29:2

SLM:000489960
slm:000489960
WWTBBRMTEFBUND-WKYRUEGDSA-N 		4alpha-hydroxyformyl-4beta-methyl-5alpha-cholest-8-en-3beta-ol

hmdb:HMDB62388
seedM:M_cpd25360 		secondary/obsolete/fantasy identifier