CHEBI:224139 - Chetocochliodin I

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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 Chetocochliodin I
ChEBI ID CHEBI:224139
Stars This entity has been manually annotated by a third party.
Submitter MetaboLights
Supplier Information
Download Molfile XML SDF
Formula C16H17N3O3S4
Net Charge 0
Average Mass 427.570
Monoisotopic Mass 427.01528
InChI InChI=1S/C16H17N3O3S4/c1-18-14(22)16(9-20)19(2)13(21)15(18,26(16)25-24-23)7-10-8-17-12-6-4-3-5-11(10)12/h3-6,8,17,20H,7,9H2,1-2H3/t15-,16-,26?/m0/s1
InChIKey TYBHREIJLQFQJG-ZIZWBSLWSA-N
SMILES S(=S=S)=S1[C@@]2(N(C)C([C@]1(N(C)C2=O)CC=3C4=C(C=CC=C4)NC3)=O)CO
Metabolite of Species Details
Chaetomium cochliodes (NCBI:txid904709) See: PubMed
ChEBI Ontology
Outgoing Chetocochliodin I (CHEBI:224139) has functional parent α-amino acid (CHEBI:33704)
Chetocochliodin I (CHEBI:224139) is a organonitrogen compound (CHEBI:35352)
Chetocochliodin I (CHEBI:224139) is a organooxygen compound (CHEBI:36963)
IUPAC Name
(1S,4S)-1-(hydroxymethyl)-4-(1H-indol-3-ylmethyl)-2,5-dimethyl-7-[(sulanylidene-lambda4-sulanylidene)-lambda4-sulanylidene]-7lambda4-thia-2,5-diazabicyclo[2.2.1]heptane-3,6-dione