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tachysterol 3

PropertiesImage
MNX_IDMNXM21968 Image of MNXM21968
referencechebi:166835
formulaC27H44O
global charge0
mol weight384.648
InChIKeyYUGCAAVRZWBXEQ-FMCTZRJNSA-N
InChIInChI=1S/C27H44O/c1-19(2)8-6-9-21(4)25-15-16-26-22(10-7-17-27(25,26)5)12-13-23-18-24(28)14-11-20(23)3/h10,12-13,19,21,24-26,28H,6-9,11,14-18H2,1-5H3/b13-12+/t21-,24+,25-,26+,27-/m1/s1
SMILESCC1=C(/C=C/C2=CCC[C@]3(C)[C@@H]([C@H](C)CCCC(C)C)CC[C@@H]23)C[C@@H](O)CC1
MNX internals
InChI (mnx)InChI=1/C27H44O/c1-19(2)8-6-9-21(4)25-15-16-26-22(10-7-17-27(25,26)5)12-13-23-18-24(28)14-11-20(23)3/h10,12-13,19,21,24-26,28H,6-9,11,14-18H2,1-5H3/b13-12+/t21-,24+,25-,26+,27-/m1/s1 Image of MNXM21968
SMILES (mnx)[CH3:1][CH:19]([CH3:2])[CH2:8][CH2:6][CH2:9][C@@H:21]([CH3:4])[C@H:25]1[CH2:15][CH2:16][C@H:26]2[C:22](/[CH:12]=[CH:13]/[C:23]3=[C:20]([CH3:3])[CH2:11][CH2:14][C@H:24]([OH:28])[CH2:18]3)=[CH:10][CH2:7][CH2:17][C@:27]12[CH3:5]
Parent-child relations graph
Occurences in reactions#reac
in my sandbox 0
in MNXref (generic)3
in models (compartimentalized) 2
Similar chemical compounds in external resources
IdentifierDescription

CHEBI:166835
chebi:166835
YUGCAAVRZWBXEQ-FMCTZRJNSA-N 		tachysterol 3
(3S,6E)-9,10-secocholesta-5(10),6,8-trien-3-ol
(3beta,6E)-9,10-secocholesta-5(10),6,8-trien-3-ol
(6E)-(3S)-9,10-seco-5(10),6,8-cholestatrien-3-ol
(6E)-9,10-secocholesta-5(10),6,8-trien-3beta-ol
(6E)-tacalciol
tacalciol
tachysterol3

bigg.metabolite:ts3
biggM:ts3
YUGCAAVRZWBXEQ-FMCTZRJNSA-N 		Tachysterol 3

vmhM:ts3
vmhmetabolite:ts3
YUGCAAVRZWBXEQ-FMCTZRJNSA-N 		Tachysterol 3
(1S)-3-[(E)-2-[(1R,3aR,7aR)-7a-methyl-1-[(2R)-6-methylheptan-2-yl]-2,3,3a,6,7,7a-hexahydro-1H-inden-4-yl]ethenyl]-4-methylcyclohex-3-en-1-ol
hmdb:HMDB0006560
YUGCAAVRZWBXEQ-FMCTZRJNSA-N 		Tachysterol 3
(1S)-3-[(E)-2-[(1R,3aR,7aR)-7a-methyl-1-[(2R)-6-methylheptan-2-yl]-2,3,3a,6,7,7a-hexahydro-1H-inden-4-yl]ethenyl]-4-methylcyclohex-3-en-1-ol
(3b,6E)-9,10-Secocholesta-5(10),6,8-trien-3-ol
(3beta,6E)-9,10-Secocholesta-5(10),6,8-trien-3-ol
(3beta,6E)-9,10-secocholesta-5(10),6,8-trien-3-ol
(6E)-(3S)-9,10-Seco-5(10),6,8-cholestatrien-3-ol
(6E)-9,10-Secocholesta-5(10),6,8-trien-3b-ol
(6E)-9,10-Secocholesta-5(10),6,8-trien-3beta-ol
(6E)-Tacalciol
1,25-Dihydroxy-3-epi-19-nor-previtamin D3
14-Epi-19-nortachysterol
Precalciferol
Precholecalciferol
Previtamin D(3)
Previtamin D(3), (3alpha,6Z)-isomer
Previtamin D(3), (3beta,6E)-isomer
Previtamin D3
Tacalciol
Tachysterol(3)
Tachysterol3
Tachysterol_3
tachysterol3

lipidmaps:LMST03020223
lipidmapsM:LMST03020223
YUGCAAVRZWBXEQ-FMCTZRJNSA-N 		tachysterol3
(6E)-(3S)-9,10-seco-5(10),6,8-cholestatrien-3-ol

hmdb:HMDB06560
biggM:M_ts3
vmhM:M_ts3 		secondary/obsolete/fantasy identifier