CHEBI:220679 - 6-formamide-chetomin

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This entity has been annotated by a third party. If you would like more information added to this entry, please contact ChEBI via email or GitHub.
ChEBI Name 6-formamide-chetomin
ChEBI ID CHEBI:220679
Stars This entity has been manually annotated by a third party.
Submitter MetaboLights
Supplier Information
Download Molfile XML SDF
Formula C33H32N6O7S4
Net Charge 0
Average Mass 752.890
Monoisotopic Mass 752.12153
InChI InChI=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
InChIKey HRFTYMQNNGUHMI-ZIBPZDQUSA-N
SMILES S1S[C@@]2(N(C)C([C@]1(N(C)C2=O)CO)=O)CC=3C4=C(C=CC=C4)N(C3)[C@@]56C7=C(C=CC=C7)N([C@@H]5N8C(=O)[C@]9(CO)SS[C@@]8(C6)C(=O)N9C)C(=O)C
Metabolite of Species Details
Chaetomium (NCBI:txid5149) See: PubMed
ChEBI Ontology
Outgoing 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