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CHEBI:750430 - pixatimod

Default Structure
ChEBI IDCHEBI:750430
ChEBI Namepixatimod
Stars
Last Modified29 June 2026
SubmitterChEMBL
DownloadsMolfile
FormulaC51H88O60S13
Net Charge0
Average Mass2078.076
Monoisotopic Mass2076.02040
SMILES[H][C@]1(O[C@H]2[C@H](OS(=O)(=O)O)[C@@H](OS(=O)(=O)O)[C@@]([H])(O[C@H]3[C@H](OS(=O)(=O)O)[C@@H](OS(=O)(=O)O)[C@]([H])(O[C@H]4CC[C@@]5(C)[C@@]([H])(CC[C@]6([H])[C@]5([H])CC[C@@]5(C)[C@@]6([H])CC[C@]5([H])[C@H](C)CCCC(C)C)C4)O[C@@H]3COS(=O)(=O)O)O[C@@H]2COS(=O)(=O)O)O[C@H](COS(=O)(=O)O)[C@@H](O[C@@]2([H])O[C@H](COS(=O)(=O)O)[C@@H](OS(=O)(=O)O)[C@H](OS(=O)(=O)O)[C@H]2OS(=O)(=O)O)[C@H](OS(=O)(=O)O)[C@H]1OS(=O)(=O)O
InChIInChI=1S/C51H88O60S13/c1-22(2)7-6-8-23(3)27-11-12-28-26-10-9-24-17-25(13-15-50(24,4)29(26)14-16-51(27,28)5)95-46-42(108-121(79,80)81)38(104-117(67,68)69)34(30(96-46)18-91-112(52,53)54)100-47-43(109-122(82,83)84)39(105-118(70,71)72)35(31(97-47)19-92-113(55,56)57)101-48-44(110-123(85,86)87)40(106-119(73,74)75)36(32(98-48)20-93-114(58,59)60)102-49-45(111-124(88,89)90)41(107-120(76,77)78)37(103-116(64,65)66)33(99-49)21-94-115(61,62)63/h22-49H,6-21H2,1-5H3,(H,52,53,54)(H,55,56,57)(H,58,59,60)(H,61,62,63)(H,64,65,66)(H,67,68,69)(H,70,71,72)(H,73,74,75)(H,76,77,78)(H,79,80,81)(H,82,83,84)(H,85,86,87)(H,88,89,90)/t23-,24+,25+,26+,27-,28+,29+,30-,31-,32-,33-,34-,35-,36-,37-,38+,39+,40+,41+,42-,43-,44-,45-,46-,47-,48-,49-,50+,51-/m1/s1
InChIKeyLNUFLCYMSVYYNW-ZPJMAFJPSA-N
Roles Classification
Biological Role:
metabolite  Any intermediate or product resulting from metabolism. The term 'metabolite' subsumes the classes commonly known as primary and secondary metabolites.
ChEBI Ontology
Outgoing Relation(s)
pixatimod (CHEBI:750430) is a steroid saponin (CHEBI:61655)
Synonyms  Source
Pg-545 free acidChEMBL
PixatimodChEMBL