CHEBI:222433 - Closthioamide

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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 Closthioamide
ChEBI ID CHEBI:222433
Stars This entity has been manually annotated by a third party.
Submitter MetaboLights
Supplier Information
Download Molfile XML SDF
Formula C29H38N6O2S6
Net Charge 0
Average Mass 695.020
Monoisotopic Mass 694.13805
InChI InChI=1S/C29H38N6O2S6/c36-22-6-2-20(3-7-22)28(42)34-18-12-26(40)32-16-10-24(38)30-14-1-15-31-25(39)11-17-33-27(41)13-19-35-29(43)21-4-8-23(37)9-5-21/h2-9,36-37H,1,10-19H2,(H,30,38)(H,31,39)(H,32,40)(H,33,41)(H,34,42)(H,35,43)
InChIKey UBZKZUDCUOZCCY-UHFFFAOYSA-N
SMILES S=C(NCCC(=S)NCCC(=S)NCCCNC(=S)CCNC(=S)CCNC(=S)C1=CC=C(O)C=C1)C2=CC=C(O)C=C2
Metabolite of Species Details
Clostridium (NCBI:txid1485) See: PubMed
ChEBI Ontology
Outgoing Closthioamide (CHEBI:222433) is a phenols (CHEBI:33853)
IUPAC Name
4-hydroxy-N-[3-[[3-[3-[3-[3-[(4-hydroxybenzenecarbothioyl)amino]propanethioylamino]propanethioylamino]propylamino]-3-sulanylidenepropyl]amino]-3-sulanylidenepropyl]benzenecarbothioamide
Manual Xrefs Databases
28287260 ChemSpider
IQ4 PDBeChem
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