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32-oxolanosterol

PropertiesImage
MNX_IDMNXM6859 Image of MNXM6859
referencechebi:166681
formulaC30H48O2
global charge0
mol weight440.712
InChIKeyPGGIMLIQOHYFIS-PUXRVUTHSA-N
InChIInChI=1S/C30H48O2/c1-20(2)9-8-10-21(3)22-14-18-30(19-31)24-11-12-25-27(4,5)26(32)15-16-28(25,6)23(24)13-17-29(22,30)7/h9,19,21-22,25-26,32H,8,10-18H2,1-7H3/t21-,22-,25+,26+,28-,29-,30-/m1/s1
SMILESCC(C)=CCC[C@@H](C)[C@H]1CC[C@@]2(C=O)C3=C(CC[C@]12C)[C@@]1(C)CC[C@H](O)C(C)(C)[C@@H]1CC3
MNX internals
InChI (mnx)InChI=1/C30H48O2/c1-20(2)9-8-10-21(3)22-14-18-30(19-31)24-11-12-25-27(4,5)26(32)15-16-28(25,6)23(24)13-17-29(22,30)7/h9,19,21-22,25-26,32H,8,10-18H2,1-7H3/t21-,22-,25+,26+,28-,29-,30-/m1/s1 Image of MNXM6859
SMILES (mnx)[CH3:1][C:20]([CH3:2])=[CH:9][CH2:8][CH2:10][C@@H:21]([CH3:3])[C@H:22]1[CH2:14][CH2:18][C@@:30]2([CH:19]=[O:31])[C:24]3=[C:23]([CH2:13][CH2:17][C@:29]12[CH3:7])[C@@:28]1([CH3:6])[CH2:16][CH2:15][C@H:26]([OH:32])[C:27]([CH3:4])([CH3:5])[C@@H:25]1[CH2:12][CH2:11]3
Parent-child relations graph
Occurences in reactions#reac
in my sandbox 0
in MNXref (generic)11
in models (compartimentalized) 4
Similar chemical compounds in external resources
IdentifierDescription

CHEBI:166681
chebi:166681
PGGIMLIQOHYFIS-PUXRVUTHSA-N 		32-oxolanosterol
(3S,5R,10S,13R,14S,17R)-3-hydroxy-4,4,10,13-tetramethyl-17-[(2R)-6-methylhept-5-en-2-yl]-2,3,5,6,7,11,12,15,16,17-decahydro-1H-cyclopenta[a]phenanthrene-14-carbaldehyde
4,4-Dimethyl-14a-formyl-5alpha-cholesta-8,24-dien-3beta-ol
hmdb:HMDB0304023
PGGIMLIQOHYFIS-UHFFFAOYSA-N 		14-oxolanosterol
5-hydroxy-2,6,6,15-tetramethyl-14-(6-methylhept-5-en-2-yl)tetracyclo[8.7.0.0²,⁷.0¹¹,¹⁵]heptadec-1(10)-ene-11-carbaldehyde

metacyc.compound:CPD-4573
metacycM:CPD-4573
PGGIMLIQOHYFIS-PUXRVUTHSA-N 		30-oxolanosterol
14-oxo-lanosterol
4,4-dimethyl-14alpha-formyl-5alpha-cholesta-8,24-dien-3beta-ol

lipidmaps:LMST01010222
lipidmapsM:LMST01010222
PGGIMLIQOHYFIS-PUXRVUTHSA-N 		32-oxolanosterol
3beta-hydroxylanosta-8,24-dien-32-al
4,4-dimethyl-14alpha-formyl-5alpha-cholesta-8,24-dien-3beta-ol
O2
ST 30:3

bigg.metabolite:M00937
biggM:M00937
vmhM:M00937
vmhmetabolite:M00937
PGGIMLIQOHYFIS-PDJLJBAHSA-N
PGGIMLIQOHYFIS-UHFFFAOYSA-N 		4,4-Dimethyl-14Alpha-Formyl-5Alpha-Cholesta-8,24-Dien-3Beta-Ol
hmdb:HMDB0062378
PGGIMLIQOHYFIS-PUXRVUTHSA-N 		4,4-dimethyl-14alpha-formyl-5alpha-cholesta-8,24-dien-3beta-ol
(2S,5S,7R,11S,14R,15R)-5-hydroxy-2,6,6,15-tetramethyl-14-[(2R)-6-methylhept-5-en-2-yl]tetracyclo[8.7.0.0^{2,7}.0^{11,15}]heptadec-1(10)-ene-11-carbaldehyde
32-Ketolanosterol
4,4-Dimethyl-14a-formyl-5a-cholesta-8,24-dien-3b-ol
4,4-Dimethyl-14alpha-formyl-5alpha-cholesta-8,24-dien-3beta-ol

seed.compound:cpd24501
seedM:cpd24501
PGGIMLIQOHYFIS-PUXRVUTHSA-N 		4,4-dimethyl-14alpha-formyl-5alpha-cholesta-8,24-dien-3beta-ol
14-oxo-lanosterol
30-oxolanosterol

hmdb:HMDB62378
biggM:M_M00937
seedM:M_cpd24501
vmhM:M_M00937 		secondary/obsolete/fantasy identifier