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CHEBI:46281 - ULAPUALIDE A

Default Structure
ChEBI IDCHEBI:46281
ChEBI NameULAPUALIDE A
Stars
Last Modified16 May 2008
DownloadsMolfile
FormulaC46H66N4O13
Net Charge0
Average Mass883.049
Monoisotopic Mass882.46264
SMILES[H]OC([H])([H])N(/C([H])=C(\[H])[C@@]([H])(C([H])([H])[H])[C@]([H])(OC(=O)C([H])([H])[H])[C@@]([H])(C(=O)C([H])([H])C([H])([H])[C@]([H])(C([H])([H])[H])[C@@]([H])(OC([H])([H])[H])C([H])([H])[C@]1([H])OC(=O)C([H])([H])[C@@]([H])(O[H])C([H])([H])C([H])([H])C([H])([H])C(=O)C([H])([H])[C@]([H])(C([H])([H])[H])c2nc(oc2[H])-c2nc(oc2[H])-c2nc(oc2[H])/C([H])=C(\[H])C([H])([H])[C@]([H])(OC([H])([H])[H])[C@@]1([H])C([H])([H])[H])C([H])([H])[H])C([H])([H])[H]
InChIInChI=1S/C46H66N4O13/c1-27(16-17-38(55)30(4)44(62-32(6)52)28(2)18-19-50(7)26-51)40(58-9)22-41-31(5)39(57-8)14-11-15-42-47-36(24-59-42)45-49-37(25-61-45)46-48-35(23-60-46)29(3)20-33(53)12-10-13-34(54)21-43(56)63-41/h11,15,18-19,23-25,27-31,34,39-41,44,51,54H,10,12-14,16-17,20-22,26H2,1-9H3/b15-11+,19-18+/t27-,28+,29-,30+,31+,34-,39-,40-,41-,44-/m0/s1
InChIKeyDIOFXPZEAVIPDB-RTHWYCIMSA-N
ChEBI Ontology
Outgoing Relation(s)
ULAPUALIDE A (CHEBI:46281) is a unclassifieds (CHEBI:27189)
Synonyms  Source
(2S,6S,7S)-8-[(10S,16S,20S,21R,22S,24E)-16-hydroxy-22-methoxy-10,21-dimethyl-12,18-dioxo-3,7,19,27-tetraoxa-29,30,31-triazatetracyclo[24.2.1.1~2,5~.1~6,9~]hentriaconta-1(28),2(31),4,6(30),8,24,26(29)-heptaen-20-yl]-1-{3-[(hydroxymethyl)(methyl)amino]-1-methylprop-2-en-1-yl}-7-methoxy-2,6-dimethyl-3-oxooctyl acetatePDBeChem
ULAPUALIDE APDBeChem
Manual XrefsDatabases
ULAPDBeChem