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CHEBI:220092 - Phomazine C

ChEBI IDCHEBI:220092
ChEBI NamePhomazine C
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC18H20N2O8S2
Net Charge0
Average Mass456.498
Monoisotopic Mass456.06611
SMILESO=C1C[C@H](O)[C@H](O)[C@@H]2[C@H]1C[C@@]13SS[C@]4(C[C@H]5C(=O)C[C@H](O)[C@H](O)[C@H]5N4C1=O)C(=O)N23
InChIInChI=1S/C18H20N2O8S2/c21-7-1-9(23)13(25)11-5(7)3-17-15(27)20-12-6(8(22)2-10(24)14(12)26)4-18(20,30-29-17)16(28)19(11)17/h5-6,9-14,23-26H,1-4H2/t5-,6-,9-,10-,11-,12-,13-,14-,17+,18+/m0/s1
InChIKeyYNFKMTRYYNDXHU-PLFLVPLZSA-N
Species of MetaboliteComponentSourceComments
Phomaspecies OUCMDZ-1847 (ncbitaxon:1429581) - PubMed (24370114)
Roles Classification
Chemical Role:
Bronsted base  A molecular entity capable of accepting a hydron from a donor (Brønsted acid).
ChEBI Ontology
Outgoing Relation(s)
Phomazine C (CHEBI:220092) is a 2,5-diketopiperazines (CHEBI:65061)
Phomazine C (CHEBI:220092) is a indoles (CHEBI:24828)
Phomazine C (CHEBI:220092) is a organic disulfide (CHEBI:35489)
Phomazine C (CHEBI:220092) is a organic heteropentacyclic compound (CHEBI:38164)
IUPAC Name 
(1R,4S,5R,6S,9R,11R,14S,15R,16S,19R)-5,6,15,16-tetrahydroxy-21,22-dithia-3,13-diazahexacyclo[9.9.2.01,13.03,11.04,9.014,19]docosane-2,8,12,18-tetrone
Manual XrefsDatabases
31126181ChemSpider