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typhasterol

MNXM88377 is deprecated and here replaced by MNXM479117
!!! Alternative mappings exist !!!
PropertiesImage
MNX_IDMNXM479117 Image of MNXM479117
referencechebi:27173
formulaC28H48O4
global charge0
mol weight448.688
InChIKeySBSXXCCMIWEPEE-SELDZKRUSA-N
InChIInChI=1S/C28H48O4/c1-15(2)16(3)25(31)26(32)17(4)20-7-8-21-19-14-24(30)23-13-18(29)9-11-28(23,6)22(19)10-12-27(20,21)5/h15-23,25-26,29,31-32H,7-14H2,1-6H3/t16-,17-,18+,19-,20+,21-,22-,23+,25+,26+,27+,28+/m0/s1
SMILESCC(C)[C@H](C)[C@@H](O)[C@H](O)[C@@H](C)[C@H]1CC[C@H]2[C@@H]3CC(=O)[C@H]4C[C@H](O)CC[C@]4(C)[C@H]3CC[C@]12C
MNX internals
InChI (mnx)InChI=1/C28H48O4/c1-15(2)16(3)25(31)26(32)17(4)20-7-8-21-19-14-24(30)23-13-18(29)9-11-28(23,6)22(19)10-12-27(20,21)5/h15-23,25-26,29,31-32H,7-14H2,1-6H3/t16-,17-,18+,19-,20+,21-,22-,23+,25+,26+,27+,28+/m0/s1 Image of MNXM479117
SMILES (mnx)[CH3:1][CH:15]([CH3:2])[C@H:16]([CH3:3])[C@H:25]([C@@H:26]([C@@H:17]([CH3:4])[C@H:20]1[CH2:7][CH2:8][C@H:21]2[C@@H:19]3[CH2:14][C:24](=[O:30])[C@H:23]4[CH2:13][C@H:18]([OH:29])[CH2:9][CH2:11][C@:28]4([CH3:6])[C@H:22]3[CH2:10][CH2:12][C@:27]12[CH3:5])[OH:32])[OH:31]
Parent-child relations graph
Occurences in reactions#reac
in my sandbox 0
in MNXref (generic)19
in models (compartimentalized) 3
Similar chemical compounds in external resources
IdentifierDescription

CHEBI:27173
chebi:27173
SBSXXCCMIWEPEE-SELDZKRUSA-N 		typhasterol
(3alpha,5alpha,22R,23R,24S)-3,22,23-trihydroxyergostan-6-one
2-Deoxycastasterone
hmdb:HMDB0034423
SBSXXCCMIWEPEE-SELDZKRUSA-N 		2-Deoxycastasterone
(1S,2R,5R,7S,10S,11S,14R,15S)-14-[(2S,3R,4R,5S)-3,4-dihydroxy-5,6-dimethylheptan-2-yl]-5-hydroxy-2,15-dimethyltetracyclo[8.7.0.0^{2,7}.0^{11,15}]heptadecan-8-one
(3alpha,5alpha,22R,23R,24S)-3,22,23-Trihydroxyergostan-6-one
(3alpha,5alpha,22R,23R,24S)-3,22,23-trihydroxyergostan-6-one
Typhasterol

lipidmaps:LMST01030130
lipidmapsM:LMST01030130
SBSXXCCMIWEPEE-SELDZKRUSA-N 		Typhasterol
6-oxo-campestan-3alpha,22R,23R-triol
O4
ST 28:1

seed.compound:cpd14529
seedM:cpd14529
SBSXXCCMIWEPEE-SELDZKRUSA-N 		Typhasterol
typhasterol

metacyc.compound:CPD-719
metacycM:CPD-719
SBSXXCCMIWEPEE-SELDZKRUSA-N 		typhasterol

hmdb:HMDB34423
seedM:M_cpd14529 		secondary/obsolete/fantasy identifier