CHEBI:203631 - Brocazine C

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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 C
ChEBI ID CHEBI:203631
Stars This entity has been manually annotated by a third party.
Submitter MetaboLights
Supplier Information
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Formula C18H20N2O7S2
Net Charge 0
Average Mass 440.490
Monoisotopic Mass 440.07119
InChI InChI=1S/C18H20N2O7S2/c21-8-1-2-9(22)12-6(8)4-17-16(27)20-13-7(10(23)3-11(24)14(13)25)5-18(20,29-28-17)15(26)19(12)17/h1-2,6-9,11-14,21-22,24-25H,3-5H2/t6-,7+,8+,9+,11+,12+,13+,14+,17-,18-/m1/s1
InChIKey LPUHZOUWCQALDK-LENHPZMJSA-N
SMILES S1S[C@]23N([C@@H]4[C@@H](O)C=C[C@@H]([C@H]4C2)O)C([C@]15N([C@@H]6[C@@H](O)[C@@H](O)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 C (CHEBI:203631) is a 2,5-diketopiperazines (CHEBI:65061)
Brocazine C (CHEBI:203631) is a indoles (CHEBI:24828)
Brocazine C (CHEBI:203631) is a organic disulfide (CHEBI:35489)
Brocazine C (CHEBI:203631) is a organic heteropentacyclic compound (CHEBI:38164)
IUPAC Name
(1R,4S,5R,6S,9R,11R,14S,15S,18S,19S)-5,6,15,18-tetrahydroxy-21,22-dithia-3,13-diazahexacyclo[9.9.2.01,13.03,11.04,9.014,19]docos-16-ene-2,8,12-trione
Manual Xref Database
34981983 ChemSpider
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