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tetrahymanol

PropertiesImage
MNX_IDMNXM4841 Image of MNXM4841
referencechebi:9493
formulaC30H52O
global charge0
mol weight428.745
InChIKeyBFNSRKHIVITRJP-VJBYBJRLSA-N
InChIInChI=1S/C30H52O/c1-25(2)15-9-16-27(5)20(25)12-18-29(7)22(27)10-11-23-28(6)17-14-24(31)26(3,4)21(28)13-19-30(23,29)8/h20-24,31H,9-19H2,1-8H3/t20-,21-,22+,23+,24-,27-,28-,29+,30+/m0/s1
SMILESCC1(C)CCC[C@]2(C)[C@H]3CC[C@@H]4[C@@]5(C)CC[C@H](O)C(C)(C)[C@@H]5CC[C@@]4(C)[C@]3(C)CC[C@@H]12
MNX internals
InChI (mnx)InChI=1/C30H52O/c1-25(2)15-9-16-27(5)20(25)12-18-29(7)22(27)10-11-23-28(6)17-14-24(31)26(3,4)21(28)13-19-30(23,29)8/h20-24,31H,9-19H2,1-8H3/t20-,21-,22+,23+,24-,27-,28-,29+,30+/m0/s1 Image of MNXM4841
SMILES (mnx)[CH2:1]1[CH2:2][CH2:3][C:25]([CH3:21])([CH3:26])[C@H:16]2[CH2:4][CH2:5][C@@:13]3([CH3:22])[C@:14]4([CH3:23])[CH2:8][CH2:9][C@@H:19]5[C@:15]([CH3:24])([CH2:11][CH2:10][C@H:28]([CH3:29])[C:30]5([CH3:27])[OH:31])[C@H:18]4[CH2:6][CH2:7][C@@H:17]3[C@:12]12[CH3:20]
Parent-child relations graph
Occurences in reactions#reac
in my sandbox 0
in MNXref (generic)3
in models (compartimentalized) 0
Similar chemical compounds in external resources
IdentifierDescription

CHEBI:9493
chebi:9493
BFNSRKHIVITRJP-VJBYBJRLSA-N 		tetrahymanol
Tetrahymanol
gammaceran-21alpha-ol
gammaceran-3beta-ol

kegg.compound:C06083
keggC:C06083
BFNSRKHIVITRJP-VJBYBJRLSA-N 		Tetrahymanol
hmdb:HMDB0006836
BFNSRKHIVITRJP-VJBYBJRLSA-N 		Tetrahymanol
(3S,4aR,6aR,6bR,8aS,12aS,12bR,14aR,14bR)-4,4,6a,6b,9,9,12a,14b-octamethyl-docosahydropicen-3-ol
Gammaceran-3-ol
Gammaceran-3b-ol
Gammaceran-3beta-ol
Wallichiniol
tetrahymanol

lipidmaps:LMPR0106210001
lipidmapsM:LMPR0106210001
BFNSRKHIVITRJP-VJBYBJRLSA-N 		Tetrahymanol
Wallichiniol
gammaceran-3beta-ol

seed.compound:cpd03625
seedM:cpd03625
BFNSRKHIVITRJP-VJBYBJRLSA-N 		Tetrahymanol
gammaceran-21alpha-ol
tetrahymanol

metacyc.compound:CPD-11533
metacycM:CPD-11533
BFNSRKHIVITRJP-VJBYBJRLSA-N 		tetrahymanol
gammaceran-21alpha-ol

hmdb:HMDB06836
keggC:M_C06083
seedM:M_cpd03625 		secondary/obsolete/fantasy identifier