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CHEBI:215725 - Leptosin G1

ChEBI IDCHEBI:215725
ChEBI NameLeptosin G1
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC32H32N6O7S6
Net Charge0
Average Mass805.045
Monoisotopic Mass804.06567
SMILESCC(C)[C@@]12SSS[C@]3(C(=O)N1C)[C@@H](O)C1([C@]45c6ccccc6N[C@H]4N4C(=O)[C@]6(CO)SSS[C@]4(C(=O)N6C)[C@H]5O)c4ccccc4N[C@@H]1N3C2=O
InChIInChI=1S/C32H32N6O7S6/c1-14(2)30-26(45)38-22-29(16-10-6-8-12-18(16)34-22,20(41)32(38,49-51-47-30)25(44)36(30)4)28-15-9-5-7-11-17(15)33-21(28)37-23(42)27(13-39)35(3)24(43)31(37,19(28)40)48-50-46-27/h5-12,14,19-22,33-34,39-41H,13H2,1-4H3/t19-,20-,21-,22+,27-,28-,29?,30-,31-,32-/m0/s1
InChIKeyFNGREQNWOPPQJI-HGTYPDCTSA-N
Species of MetaboliteComponentSourceComments
Leptosphaeriaspecies (ncbitaxon:1755431) - PubMed (7766052)
ChEBI Ontology
Outgoing Relation(s)
Leptosin G1 (CHEBI:215725) is a pyrroloindole (CHEBI:48133)
IUPAC Name 
(1S,2S,3R,11S,14S)-2-hydroxy-14-(hydroxymethyl)-3-[(1S,2S,3S,11R,14S)-2-hydroxy-19-methyl-13,18-dioxo-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-trien-3-yl]-19-methyl-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
Manual XrefsDatabases
8277424ChemSpider