PDB CCD ID: | JAS | ||||||||||||
Number of entries in BioLiP: | 1 | ||||||||||||
Chemical formula: | C44 H64 N4 O13 | ||||||||||||
InChI: | InChI=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 | ||||||||||||
InChIKey: | VMTDLKOWOZYTPX-RZKNNNBGSA-N | ||||||||||||
SMILES: |
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Name: | JASPISAMIDE A | ||||||||||||
DrugBank: | DB03850 | ||||||||||||
ZINC: | ZINC000263621129 |