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CHEBI:213681 - Leptosine M

ChEBI IDCHEBI:213681
ChEBI NameLeptosine M
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC33H36N6O8S4
Net Charge0
Average Mass772.953
Monoisotopic Mass772.14775
SMILESCO[C@@]12C(=O)N(C)C(CO)C(=O)N1[C@@H]1Nc3ccccc3[C@]1(C13c4ccccc4N[C@@H]1N1C(=O)C4(C(C)C)SSSS[C@]1(C(=O)N4C)[C@@H]3O)[C@H]2O
InChIInChI=1S/C33H36N6O8S4/c1-15(2)32-28(46)39-25-30(17-11-7-9-13-19(17)35-25,23(43)33(39,27(45)37(32)4)49-51-50-48-32)29-16-10-6-8-12-18(16)34-24(29)38-21(41)20(14-40)36(3)26(44)31(38,47-5)22(29)42/h6-13,15,20,22-25,34-35,40,42-43H,14H2,1-5H3/t20?,22-,23-,24+,25-,29+,30?,31+,32?,33+/m1/s1
InChIKeySNOBMBVOZWFXHF-GQWRLTONSA-N
Species of MetaboliteComponentSourceComments
Leptosphaeriaspecies (ncbitaxon:1755431) - DOI (10.1016/s0040-4020(01)01170-x)
ChEBI Ontology
Outgoing Relation(s)
Leptosine M (CHEBI:213681) is a pyrroloindole (CHEBI:48133)
IUPAC Name 
(1S,2R,11R)-2-hydroxy-3-[(1S,7S,8R,9R)-8-hydroxy-4-(hydroxymethyl)-7-methoxy-5-methyl-3,6-dioxo-2,5,16-triazatetracyclo[7.7.0.02,7.010,15]hexadeca-10,12,14-trien-9-yl]-20-methyl-14-propan-2-yl-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
Manual XrefsDatabases
78445181ChemSpider