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24-epi-cathasterone-22-O-sulfate

MNXM819802 is deprecated and replaced by MNXM14426
PropertiesImage
MNX_IDMNXM14426 Image of MNXM14426
referencechebi:136768
formulaC28H48O6S
global charge0
mol weight512.753
InChIKeyMMHKTOGFTDNQOU-QDUMAPLTSA-N
InChIInChI=1S/C28H48O6S/c1-16(2)17(3)13-26(34-35(31,32)33)18(4)21-7-8-22-20-15-25(30)24-14-19(29)9-11-28(24,6)23(20)10-12-27(21,22)5/h16-24,26,29H,7-15H2,1-6H3,(H,31,32,33)/t17-,18-,19-,20-,21+,22-,23-,24+,26-,27+,28+/m0/s1
SMILESCC(C)[C@@H](C)C[C@H](OS(=O)(=O)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/C28H48O6S/c1-16(2)17(3)13-26(34-35(31,32)33)18(4)21-7-8-22-20-15-25(30)24-14-19(29)9-11-28(24,6)23(20)10-12-27(21,22)5/h16-24,26,29H,7-15H2,1-6H3,(H,31,32,33)/t17-,18-,19-,20-,21+,22-,23-,24+,26-,27+,28+/m0/s1 Image of MNXM14426
SMILES (mnx)[CH3:1][CH:16]([CH3:2])[C@@H:17]([CH3:3])[CH2:13][C@@H:26]([C@@H:18]([CH3:4])[C@H:21]1[CH2:7][CH2:8][C@H:22]2[C@@H:20]3[CH2:15][C:25](=[O:30])[C@H:24]4[CH2:14][C@@H:19]([OH:29])[CH2:9][CH2:11][C@:28]4([CH3:6])[C@H:23]3[CH2:10][CH2:12][C@:27]12[CH3:5])[O:34][S:35]([OH:31])(=[O:32])=[O:33]
Parent-child relations graph
Occurences in reactions#reac
in my sandbox 0
in MNXref (generic)1
in models (compartimentalized) 0
Similar chemical compounds in external resources
IdentifierDescription

CHEBI:136768
chebi:136768
MMHKTOGFTDNQOU-QDUMAPLTSA-N 		24-epi-cathasterone-22-O-sulfate
(22S)-3beta-hydroxy-6-oxo-5alpha-ergostan-22-yl hydrogen sulfate
(3beta,5alpha,22S)-3-hydroxy-6-oxoergostan-22-yl hydrogen sulfate
24-epi-cathasterone-22-sulfate
24-epicathasterone-22-O-sulfate

sabiork.compound:31338
sabiorkM:31338
MMHKTOGFTDNQOU-QDUMAPLTSA-N 		24-epi-Cathasterone-22-O-sulfate

metacyc.compound:CPD-11839
metacycM:CPD-11839
seed.compound:cpd23101
seedM:cpd23101
MMHKTOGFTDNQOU-QDUMAPLTSA-M 		24-epicathasterone-22-O-sulfate

seedM:M_cpd23101 		secondary/obsolete/fantasy identifier