CHEBI:219143 - Epicoccin A

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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 Epicoccin A
ChEBI ID CHEBI:219143
Stars This entity has been manually annotated by a third party.
Submitter MetaboLights
Supplier Information
Download Molfile XML SDF
Formula C18H18N2O6S3
Net Charge 0
Average Mass 454.530
Monoisotopic Mass 454.03270
InChI InChI=1S/C18H18N2O6S3/c21-7-1-9-13(23)11-5(7)3-17(27-9)15(25)20-12-6-4-18(20,16(26)19(11)17)29-28-10(14(12)24)2-8(6)22/h5-6,9-14,23-24H,1-4H2/t5-,6-,9+,10+,11-,12-,13-,14-,17+,18+/m0/s1
InChIKey VZUJNQMBOQHGKN-DXOBHMFTSA-N
SMILES S1S[C@H]2[C@H](O)[C@H]3N4[C@]1(C(=O)N5[C@@H]6[C@@H](O)[C@@H]7S[C@@]5(C4=O)C[C@H]6C(=O)C7)C[C@H]3C(C2)=O
Metabolite of Species Details
Epicoccum nigrum (NCBI:txid105696) See: PubMed
ChEBI Ontology
Outgoing Epicoccin A (CHEBI:219143) has functional parent α-amino acid (CHEBI:33704)
Epicoccin A (CHEBI:219143) is a organonitrogen compound (CHEBI:35352)
Epicoccin A (CHEBI:219143) is a organooxygen compound (CHEBI:36963)
IUPAC Name
(1R,4S,5R,6R,9R,11R,14S,15R,16R,19R)-5,15-dihydroxy-21,22,23-trithia-3,13-diazaheptacyclo[14.4.2.16,11.01,13.03,11.04,9.014,19]tricosane-2,8,12,18-tetrone
Manual Xref Database
23310934 ChemSpider
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