CHEBI:217898 - Brocazine D

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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 Brocazine D
ChEBI ID CHEBI:217898
Stars This entity has been manually annotated by a third party.
Submitter MetaboLights
Supplier Information
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Formula C19H22N2O8S2
Net Charge 0
Average Mass 470.510
Monoisotopic Mass 470.08176
InChI InChI=1S/C19H22N2O8S2/c1-29-11-3-9(23)7-5-19-16(27)20-12-6(8(22)2-10(24)14(12)25)4-18(20,30-31-19)17(28)21(19)13(7)15(11)26/h6-7,10-15,24-26H,2-5H2,1H3/t6-,7-,10-,11-,12-,13-,14-,15-,18+,19+/m0/s1
InChIKey OQBICUASXZODNX-NCRURJJJSA-N
SMILES S1S[C@]23N([C@@H]4[C@@H](O)[C@@H](O)CC([C@@H]4C2)=O)C([C@]15N([C@@H]6[C@@H](O)[C@@H](OC)CC([C@@H]6C5)=O)C3=O)=O
Metabolite of Species Details
Penicillium (NCBI:txid5073) See: PubMed
Roles Classification
Chemical Role(s): Bronsted base
A molecular entity capable of accepting a hydron from a donor (Bronsted acid).
(via organic amino compound )
View more via ChEBI Ontology
ChEBI Ontology
Outgoing Brocazine D (CHEBI:217898) is a 2,5-diketopiperazines (CHEBI:65061)
Brocazine D (CHEBI:217898) is a indoles (CHEBI:24828)
Brocazine D (CHEBI:217898) is a organic disulfide (CHEBI:35489)
Brocazine D (CHEBI:217898) is a organic heteropentacyclic compound (CHEBI:38164)
IUPAC Name
(1R,4S,5R,6S,9R,11R,14S,15R,16S,19R)-5,6,15-trihydroxy-16-methoxy-21,22-dithia-3,13-diazahexacyclo[9.9.2.01,13.03,11.04,9.014,19]docosane-2,8,12,18-tetrone
Manual Xref Database
34982004 ChemSpider
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