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CHEBI:226365 - Leptosin K1

ChEBI IDCHEBI:226365
ChEBI NameLeptosin K1
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC34H36N6O6S5
Net Charge0
Average Mass785.033
Monoisotopic Mass784.12999
SMILESCC(C)C12SSS[C@]3(C(=O)N1C)[C@@H](O)C1([C@]45c6ccccc6N[C@H]4N4C(=O)[C@]6(C(C)C)SS[C@@]4(C(=O)N6C)[C@H]5O)c4ccccc4N[C@@H]1N3C2=O
InChIInChI=1S/C34H36N6O6S5/c1-15(2)31-27(45)39-23-29(17-11-7-9-13-19(17)35-23,21(41)33(39,48-47-31)25(43)37(31)5)30-18-12-8-10-14-20(18)36-24(30)40-28(46)32(16(3)4)38(6)26(44)34(40,22(30)42)50-51-49-32/h7-16,21-24,35-36,41-42H,1-6H3/t21-,22-,23-,24+,29-,30?,31-,32?,33+,34-/m0/s1
InChIKeySVKOQQXMXSQXBA-XIBRWGQVSA-N
Species of MetaboliteComponentSourceComments
Leptosphaeriaspecies (ncbitaxon:1755431) - DOI (10.1016/0040-4020(95)00102-e)
ChEBI Ontology
Outgoing Relation(s)
Leptosin K1 (CHEBI:226365) is a pyrroloindole (CHEBI:48133)
IUPAC Name 
(1S,2S,11R)-2-hydroxy-3-[(1R,2S,3R,11S,14S)-2-hydroxy-18-methyl-13,17-dioxo-14-propan-2-yl-15,16-dithia-10,12,18-triazapentacyclo[12.2.2.01,12.03,11.04,9]octadeca-4,6,8-trien-3-yl]-19-methyl-14-propan-2-yl-15,16,17-trithia-10,12,19-triazapentacyclo[12.3.2.01,12.03,11.04,9]nonadeca-4,6,8-triene-13,18-dione