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CHEBI:216978 - Chetomin D

ChEBI IDCHEBI:216978
ChEBI NameChetomin D
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC31H30N6O6S5
Net Charge0
Average Mass742.952
Monoisotopic Mass742.08304
SMILESCN1C(=O)[C@@]2(Cc3cn([C@]45C[C@]67SS[C@](CO)(C(=O)N6[C@H]4Nc4ccccc45)N(C)C7=O)c4ccccc34)SSS[C@]1(CO)C(=O)N2C
InChIInChI=1S/C31H30N6O6S5/c1-33-25(42)30(15-38)34(2)23(40)28(33,46-48-47-30)12-17-13-36(21-11-7-4-8-18(17)21)27-14-29-24(41)35(3)31(16-39,45-44-29)26(43)37(29)22(27)32-20-10-6-5-9-19(20)27/h4-11,13,22,32,38-39H,12,14-16H2,1-3H3/t22-,27+,28-,29-,30-,31-/m1/s1
InChIKeyVUMVXEZVOVLGND-NOUXEJRGSA-N
Species of MetaboliteComponentSourceComments
Chaetomium cochliodes (ncbitaxon:904709) - PubMed (29537276)
ChEBI Ontology
Outgoing Relation(s)
Chetomin D (CHEBI:216978) is a pyrroloindole (CHEBI:48133)
IUPAC Name 
(1R,3S,11R,14R)-14-(hydroxymethyl)-3-[3-[[(1R,5R)-5-(hydroxymethyl)-6,8-dimethyl-7,9-dioxo-2,3,4-trithia-6,8-diazabicyclo[3.2.2]nonan-1-yl]methyl]indol-1-yl]-18-methyl-15,16-dithia-10,12,18-triazapentacyclo[12.2.2.01,12.03,11.04,9]octadeca-4,6,8-triene-13,17-dione
Manual XrefsDatabases
78441759ChemSpider