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CHEBI:220679 - 6-formamide-chetomin

ChEBI IDCHEBI:220679
ChEBI Name6-formamide-chetomin
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC33H32N6O7S4
Net Charge0
Average Mass752.922
Monoisotopic Mass752.12153
SMILESCC(=O)N1c2ccccc2[C@@]2(n3cc(C[C@@]45SS[C@@](CO)(C(=O)N4C)N(C)C5=O)c4ccccc43)C[C@@]34SS[C@@](CO)(C(=O)N3[C@@H]12)N(C)C4=O
InChIInChI=1S/C33H32N6O7S4/c1-18(42)38-23-12-8-6-10-21(23)29(15-31-26(44)36(4)33(17-41,50-48-31)28(46)39(31)24(29)38)37-14-19(20-9-5-7-11-22(20)37)13-30-25(43)35(3)32(16-40,49-47-30)27(45)34(30)2/h5-12,14,24,40-41H,13,15-17H2,1-4H3/t24-,29+,30+,31+,32+,33+/m1/s1
InChIKeyHRFTYMQNNGUHMI-ZIBPZDQUSA-N
Species of MetaboliteComponentSourceComments
Chaetomium (ncbitaxon:5149) - PubMed (28602097)
ChEBI Ontology
Outgoing Relation(s)
6-formamide-chetomin (CHEBI:220679) is a pyrroloindole (CHEBI:48133)
IUPAC Name 
(1S,3S,11R,14S)-10-acetyl-14-(hydroxymethyl)-3-[3-[[(1S,4S)-4-(hydroxymethyl)-5,7-dimethyl-6,8-dioxo-2,3-dithia-5,7-diazabicyclo[2.2.2]octan-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