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CHEBI:205466 - Ambewelamide A

ChEBI IDCHEBI:205466
ChEBI NameAmbewelamide A
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC24H24N2O8S2
Net Charge0
Average Mass532.596
Monoisotopic Mass532.09741
SMILESCCCC(=O)O[C@H]1C=C2C[C@@]34SS[C@]5(CC6=C[C@H](OC(C)=O)[C@@H]7O[C@@H]7[C@H]6N5C3=O)C(=O)N4[C@@H]2[C@H]2O[C@H]21
InChIInChI=1S/C24H24N2O8S2/c1-3-4-14(28)32-13-6-11-8-24-22(30)25-15-10(5-12(31-9(2)27)17-19(15)33-17)7-23(25,35-36-24)21(29)26(24)16(11)20-18(13)34-20/h5-6,12-13,15-20H,3-4,7-8H2,1-2H3/t12-,13-,15-,16-,17-,18-,19+,20+,23+,24+/m0/s1
InChIKeyOBYDDBDJKUQGLS-BIQXIOCUSA-N
Species of MetaboliteComponentSourceComments
Usneaspecies (ncbitaxon:2015053) - DOI (10.1016/s0040-4039(98)02277-1)
Roles Classification
Chemical Role:
Bronsted base  A molecular entity capable of accepting a hydron from a donor (Brønsted acid).
ChEBI Ontology
Outgoing Relation(s)
Ambewelamide A (CHEBI:205466) is a 2,5-diketopiperazines (CHEBI:65061)
Ambewelamide A (CHEBI:205466) is a indoles (CHEBI:24828)
Ambewelamide A (CHEBI:205466) is a organic disulfide (CHEBI:35489)
Ambewelamide A (CHEBI:205466) is a organic heteropentacyclic compound (CHEBI:38164)
IUPAC Name 
[(1R,4S,5R,7S,8S,12R,15S,16R,18S,19S)-19-acetyloxy-2,13-dioxo-6,17-dioxa-23,24-dithia-3,14-diazaoctacyclo[10.10.2.01,14.03,12.04,10.05,7.015,21.016,18]tetracosa-9,20-dien-8-yl] butanoate
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354943ChemSpider