CHEBI:214392 - 7-dehydroxyepicoccin H

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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 7-dehydroxyepicoccin H
ChEBI ID CHEBI:214392
Stars This entity has been manually annotated by a third party.
Submitter MetaboLights
Supplier Information
Download Molfile XML SDF
Formula C20H26N2O7S2
Net Charge 0
Average Mass 470.560
Monoisotopic Mass 470.11814
InChI InChI=1S/C20H26N2O7S2/c1-30-19-6-8-10(23)3-4-11(24)14(8)21(19)17(28)20(31-2)7-9-12(25)5-13(26)16(27)15(9)22(20)18(19)29/h8-9,11,13-16,24,26-27H,3-7H2,1-2H3/t8-,9-,11-,13-,14-,15-,16-,19+,20+/m0/s1
InChIKey VQTRHSQPOUWBGB-CNWKXFJGSA-N
SMILES S([C@@]12N(C(=O)[C@]3(SC)C[C@@H]4[C@H](N3C1=O)[C@@H](O)CCC4=O)[C@@H]5[C@@H](O)[C@@H](O)CC([C@@H]5C2)=O)C
Metabolite of Species Details
Epicoccum (NCBI:txid104397) See: PubMed
ChEBI Ontology
Outgoing 7-dehydroxyepicoccin H (CHEBI:214392) has functional parent α-amino acid (CHEBI:33704)
7-dehydroxyepicoccin H (CHEBI:214392) is a organonitrogen compound (CHEBI:35352)
7-dehydroxyepicoccin H (CHEBI:214392) is a organooxygen compound (CHEBI:36963)
IUPAC Name
(1R,4S,5R,6S,9R,11R,14S,15S,19R)-5,6,15-trihydroxy-1,11-bis(methylsulanyl)-3,13-diazapentacyclo[11.7.0.03,11.04,9.014,19]icosane-2,8,12,18-tetrone
Manual Xref Database
89898796 ChemSpider
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