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24-methylene-cholest-5-en-3beta,17alpha,22S-triol

PropertiesImage
MNX_IDMNXM22770 Image of MNXM22770
referencechebi:187081
formulaC28H46O3
global charge0
mol weight430.673
InChIKeyKBTPEFUFGHDLIZ-VKIAQROPSA-N
InChIInChI=1S/C28H46O3/c1-17(2)18(3)15-25(30)19(4)28(31)14-11-24-22-8-7-20-16-21(29)9-12-26(20,5)23(22)10-13-27(24,28)6/h7,17,19,21-25,29-31H,3,8-16H2,1-2,4-6H3/t19-,21+,22-,23+,24+,25+,26+,27+,28+/m1/s1
SMILESC=C(C[C@H](O)[C@@H](C)[C@@]1(O)CC[C@H]2[C@@H]3CC=C4C[C@@H](O)CC[C@]4(C)[C@H]3CC[C@@]21C)C(C)C
MNX internals
InChI (mnx)InChI=1/C28H46O3/c1-17(2)18(3)15-25(30)19(4)28(31)14-11-24-22-8-7-20-16-21(29)9-12-26(20,5)23(22)10-13-27(24,28)6/h7,17,19,21-25,29-31H,3,8-16H2,1-2,4-6H3/t19-,21+,22-,23+,24+,25+,26+,27+,28+/m1/s1 Image of MNXM22770
SMILES (mnx)[CH3:1][CH:17]([CH3:2])[C:18](=[CH2:3])[CH2:15][C@@H:25]([C@@H:19]([CH3:4])[C@@:28]1([OH:31])[CH2:14][CH2:11][C@H:24]2[C@@H:22]3[CH2:8][CH:7]=[C:20]4[CH2:16][C@@H:21]([OH:29])[CH2:9][CH2:12][C@:26]4([CH3:5])[C@H:23]3[CH2:10][CH2:13][C@@:27]21[CH3:6])[OH:30]
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:187081
chebi:187081
KBTPEFUFGHDLIZ-VKIAQROPSA-N 		24-methylene-cholest-5-en-3beta,17alpha,22S-triol
(3S,8R,9S,10R,13S,14S,17S)-17-[(2R,3S)-3-hydroxy-6-methyl-5-methylideneheptan-2-yl]-10,13-dimethyl-1,2,3,4,7,8,9,11,12,14,15,16-dodecahydrocyclopenta[a]phenanthrene-3,17-diol

lipidmaps:LMST01031108
lipidmapsM:LMST01031108
KBTPEFUFGHDLIZ-VKIAQROPSA-N 		24-methylene-cholest-5-en-3beta,17alpha,22S-triol
O3
ST 28:2