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tigogenin

MNXM731520 is deprecated and replaced by MNXM731519
PropertiesImage
MNX_IDMNXM731519 Image of MNXM731519
referencechebi:9595
formulaC27H44O3
global charge0
mol weight416.646
InChIKeyGMBQZIIUCVWOCD-MFRNJXNGSA-N
InChIInChI=1S/C27H44O3/c1-16-7-12-27(29-15-16)17(2)24-23(30-27)14-22-20-6-5-18-13-19(28)8-10-25(18,3)21(20)9-11-26(22,24)4/h16-24,28H,5-15H2,1-4H3/t16-,17+,18+,19+,20-,21+,22+,23+,24+,25+,26+,27-/m1/s1
SMILESC[C@@H]1CC[C@@]2(OC1)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/C27H44O3/c1-16-7-12-27(29-15-16)17(2)24-23(30-27)14-22-20-6-5-18-13-19(28)8-10-25(18,3)21(20)9-11-26(22,24)4/h16-24,28H,5-15H2,1-4H3/t16-,17+,18+,19+,20-,21+,22+,23+,24+,25+,26+,27-/m1/s1 Image of MNXM731519
SMILES (mnx)[CH3:1][C@@H: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:28])[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)[O:29][CH2:15]1
Parent-child relations graph
Occurences in reactions#reac
in my sandbox 0
in MNXref (generic)2
in models (compartimentalized) 0
Similar chemical compounds in external resources
IdentifierDescription

CHEBI:9595
chebi:9595
GMBQZIIUCVWOCD-MFRNJXNGSA-N 		tigogenin
(25R)-5alpha-spirostan-3beta-ol
(3-beta,5alpha,25R)-spirostan-3-ol
(5alpha,25R)-spirostan-3beta-ol
5-epi-sarsasapogenin

sabiork.compound:11005
sabiorkM:11005
GMBQZIIUCVWOCD-MFRNJXNGSA-N 		Tigogenin

lipidmaps:LMST01080009
lipidmapsM:LMST01080009
GMBQZIIUCVWOCD-MFRNJXNGSA-N 		Tigogenin
(25R)-5alpha-spirostan-3beta-ol
O3
ST 27:2

seed.compound:cpd05810
seedM:cpd05810
kegg.compound:C08914
keggC:C08914
GMBQZIIUCVWOCD-MFRNJXNGSA-N 		Tigogenin
5-alpha-Spirostan-3-beta-ol

keggC:M_C08914
seedM:M_cpd05810 		secondary/obsolete/fantasy identifier