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LSM-6471

MNXM13048 is deprecated and here replaced by MNXM727962
!!! Alternative mappings exist !!!
PropertiesImage
MNX_IDMNXM727962 Image of MNXM727962
referencechebi:95189
formulaC27H45NO2
global charge0
mol weight415.662
InChIKeyXYNPYHXGMWJBLV-NYAPYGRYSA-N
InChIInChI=1S/C27H45NO2/c1-16-7-12-27(28-15-16)17(2)24-23(30-27)14-22-20-6-5-18-13-19(29)8-10-25(18,3)21(20)9-11-26(22,24)4/h16-24,28-29H,5-15H2,1-4H3/t16?,17-,18-,19-,20+,21-,22-,23-,24-,25-,26-,27-/m0/s1
SMILESCC1CC[C@]2(NC1)O[C@H]1C[C@H]3[C@@H]4CC[C@H]5C[C@@H](O)CC[C@]5(C)[C@H]4CC[C@]3(C)[C@H]1[C@@H]2C
MNX internals
InChI (mnx)InChI=1/C27H45NO2/c1-16-7-12-27(28-15-16)17(2)24-23(30-27)14-22-20-6-5-18-13-19(29)8-10-25(18,3)21(20)9-11-26(22,24)4/h16-24,28-29H,5-15H2,1-4H3/t16?,17-,18-,19-,20+,21-,22-,23-,24-,25-,26-,27-/m0/s1 Image of MNXM727962
SMILES (mnx)[CH3:1][CH:16]1[CH2:7][CH2:12][C@:27]2([C@@H:17]([CH3:2])[C@H:24]3[C@H:23]([CH2:14][C@H:22]4[C@@H:20]5[CH2:6][CH2:5][C@H:18]6[CH2:13][C@@H:19]([OH:29])[CH2:8][CH2:10][C@:25]6([CH3:3])[C@H:21]5[CH2:9][CH2:11][C@@:26]43[CH3:4])[O:30]2)[NH:28][CH2:15]1
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:95189
chebi:95189
XYNPYHXGMWJBLV-NYAPYGRYSA-N 		LSM-6471

lipidmaps:LMST01150003
lipidmapsM:LMST01150003
XYNPYHXGMWJBLV-NYAPYGRYSA-N 		tomatidine
(22S,25S)-spirosolan-3beta-ol