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CHEBI:197840 - Chetracin D

ChEBI IDCHEBI:197840
ChEBI NameChetracin D
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC34H40N6O8S4
Net Charge0
Average Mass788.996
Monoisotopic Mass788.17905
SMILESCS[C@@]1(CO)C(=O)N2[C@H]3Nc4ccccc4C3([C@@]34c5ccccc5N[C@@H]3N3C(=O)[C@](CO)(SC)N(C)C(=O)[C@@]3(SC)[C@H]4O)[C@H](O)[C@]2(SC)C(=O)N1C
InChIInChI=1S/C34H40N6O8S4/c1-37-27(47)33(51-5)21(43)31(17-11-7-9-13-19(17)35-23(31)39(33)25(45)29(37,15-41)49-3)32-18-12-8-10-14-20(18)36-24(32)40-26(46)30(16-42,50-4)38(2)28(48)34(40,52-6)22(32)44/h7-14,21-24,35-36,41-44H,15-16H2,1-6H3/t21-,22-,23+,24+,29-,30-,31+,32?,33-,34-/m0/s1
InChIKeyVNGGJOJJOWAMMM-GOBDJBKVSA-N
Species of MetaboliteComponentSourceComments
Oidiodendron (ncbitaxon:78141) - PubMed (22583079)
ChEBI Ontology
Outgoing Relation(s)
Chetracin D (CHEBI:197840) is a pyrroloindole (CHEBI:48133)
IUPAC Name 
(1R,4S,7S,8S,9S)-8-hydroxy-9-[(1R,4S,7S,8S,9S)-8-hydroxy-4-(hydroxymethyl)-5-methyl-4,7-bis(methylsulanyl)-3,6-dioxo-2,5,16-triazatetracyclo[7.7.0.02,7.010,15]hexadeca-10,12,14-trien-9-yl]-4-(hydroxymethyl)-5-methyl-4,7-bis(methylsulanyl)-2,5,16-triazatetracyclo[7.7.0.02,7.010,15]hexadeca-10,12,14-triene-3,6-dione
Manual XrefsDatabases
78436289ChemSpider