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CHEBI:43655 - JASPISAMIDE A

Default Structure
ChEBI IDCHEBI:43655
ChEBI NameJASPISAMIDE A
Stars
Last Modified16 May 2008
DownloadsMolfile
FormulaC44H64N4O13
Net Charge0
Average Mass857.011
Monoisotopic Mass856.44699
SMILES[H]OC([H])([H])N(/C([H])=C(\[H])C([H])([H])[C@@]([H])(OC([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])(O[H])C([H])([H])C(=O)[C@]([H])(C([H])([H])[H])[C@]([H])(OC([H])([H])[H])c2nc(oc2[H])-c2nc(oc2[H])-c2nc(oc2[H])/C([H])=C(\[H])C([H])([H])C([H])([H])[C@@]1([H])C([H])([H])[H])C([H])([H])[H])C([H])([H])[H]
InChIInChI=1S/C44H64N4O13/c1-26-12-9-10-14-40-45-33(23-58-40)43-47-34(24-60-43)44-46-32(22-59-44)42(57-8)29(4)36(53)19-30(50)18-31(51)20-41(54)61-39(26)21-38(56-7)27(2)15-16-35(52)28(3)37(55-6)13-11-17-48(5)25-49/h10-11,14,17,22-24,26-31,37-39,42,49-51H,9,12-13,15-16,18-21,25H2,1-8H3/b14-10+,17-11+/t26-,27+,28+,29+,30+,31+,37-,38+,39+,42+/m1/s1
InChIKeyVMTDLKOWOZYTPX-RZKNNNBGSA-N
ChEBI Ontology
Outgoing Relation(s)
JASPISAMIDE A (CHEBI:43655) is a unclassifieds (CHEBI:27189)
Synonyms  Source
(10S,11R,14S,16S,20S,21R,24E)-14,16-dihydroxy-20-{(2S,3S,7R,8R,10E)-11-[(hydroxymethyl)(methyl)amino]-2,8-dimethoxy-3,7-dimethyl-6-oxoundec-10-en-1-yl}-10-methoxy-11,21-dimethyl-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)-heptaene-12,18-dionePDBeChem
JASPISAMIDE APDBeChem
Manual XrefsDatabases
JASPDBeChem