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29-Methylisofucosterol

PropertiesImage
MNX_IDMNXM35800 Image of MNXM35800
referencechebi:175445
formulaC30H50O
global charge0
mol weight426.729
InChIKeyLVMOSMRIAUDGQC-CDXQRKPWSA-N
InChIInChI=1S/C30H50O/c1-7-8-22(20(2)3)10-9-21(4)26-13-14-27-25-12-11-23-19-24(31)15-17-29(23,5)28(25)16-18-30(26,27)6/h8,11,20-21,24-28,31H,7,9-10,12-19H2,1-6H3/b22-8-/t21-,24+,25+,26-,27+,28+,29+,30-/m1/s1
SMILESCC/C=C(/CC[C@@H](C)[C@H]1CC[C@H]2[C@@H]3CC=C4C[C@@H](O)CC[C@]4(C)[C@H]3CC[C@]12C)C(C)C
MNX internals
InChI (mnx)InChI=1/C30H50O/c1-7-8-22(20(2)3)10-9-21(4)26-13-14-27-25-12-11-23-19-24(31)15-17-29(23,5)28(25)16-18-30(26,27)6/h8,11,20-21,24-28,31H,7,9-10,12-19H2,1-6H3/b22-8-/t21-,24+,25+,26-,27+,28+,29+,30-/m1/s1 Image of MNXM35800
SMILES (mnx)[CH3:1][CH2:7]/[CH:8]=[C:22](/[CH2:10][CH2:9][C@@H:21]([CH3:4])[C@H:26]1[CH2:13][CH2:14][C@H:27]2[C@@H:25]3[CH2:12][CH:11]=[C:23]4[CH2:19][C@@H:24]([OH:31])[CH2:15][CH2:17][C@:29]4([CH3:5])[C@H:28]3[CH2:16][CH2:18][C@:30]12[CH3:6])[CH:20]([CH3:2])[CH3:3]
Parent-child relations graph
Occurences in reactions#reac
in my sandbox 0
in MNXref (generic)0
in models (compartimentalized) 0
Similar chemical compounds in external resources
IdentifierDescription

CHEBI:175445
chebi:175445
LVMOSMRIAUDGQC-CDXQRKPWSA-N 		29-Methylisofucosterol
(3S,8S,9S,10R,13R,14S,17R)-10,13-dimethyl-17-[(Z,2R)-5-propan-2-yloct-5-en-2-yl]-2,3,4,7,8,9,11,12,14,15,16,17-dodecahydro-1H-cyclopenta[a]phenanthren-3-ol
hmdb:HMDB0034066
LVMOSMRIAUDGQC-UYOCIXKTSA-N 		29-Methylisofucosterol
14-[(5Z)-5-isopropyloct-5-en-2-yl]-2,15-dimethyltetracyclo[8.7.0.0²,⁷.0¹¹,¹⁵]heptadec-7-en-5-ol
2,15-dimethyl-14-[(5Z)-5-(propan-2-yl)oct-5-en-2-yl]tetracyclo[8.7.0.0²,⁷.0¹¹,¹⁵]heptadec-7-en-5-ol
24-Propylidene-(3beta,24Z)-cholest-5-en-3-ol
24-Propylidenecholest-5-en-3beta-ol

lipidmaps:LMST01050007
lipidmapsM:LMST01050007
LVMOSMRIAUDGQC-CDXQRKPWSA-N 		29-methylisofucosterol
24Z-propylidene-cholest-5-en-3beta-ol
O
ST 30:2

hmdb:HMDB34066 		secondary/obsolete/fantasy identifier