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CHEBI:182008 - Leptosin A_130037

ChEBI IDCHEBI:182008
ChEBI NameLeptosin A_130037
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SubmitterMetaboLights
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FormulaC32H32N6O7S6
Net Charge0
Average Mass805.045
Monoisotopic Mass804.06567
SMILES[H][C@@]12Nc3ccccc3[C@]1([C@@]13c4ccccc4N[C@]1([H])N1C(=O)[C@]4(C(C)C)SS[C@]1(C(=O)N4C)[C@H]3O)[C@H](O)[C@@]13SSSS[C@@](CO)(C(=O)N12)N(C)C3=O
InChIInChI=1S/C32H32N6O7S6/c1-14(2)30-26(45)38-22-28(15-9-5-8-12-18(15)34-22,19(40)31(38,48-47-30)25(44)36(30)4)29-16-10-6-7-11-17(16)33-21(29)37-23(42)27(13-39)35(3)24(43)32(37,20(29)41)49-51-50-46-27/h5-12,14,19-22,33-34,39-41H,13H2,1-4H3/t19-,20-,21-,22+,27-,28+,29-,30-,31-,32-/m0/s1
InChIKeyHEIXSBSYEOOAIS-DNVIVPPASA-N
ChEBI Ontology
Outgoing Relation(s)
Leptosin A_130037 (CHEBI:182008) is a pyrroloindole (CHEBI:48133)
IUPAC Name 
(1S,2S,3R,11S,14S)-2-hydroxy-14-(hydroxymethyl)-3-[(1S,2S,3S,11R,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]-20-methyl-15,16,17,18-tetrathia-10,12,20-triazapentacyclo[12.4.2.01,12.03,11.04,9]icosa-4,6,8-triene-13,19-dione
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