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CHEBI:198915 - Ambewelamide B

ChEBI IDCHEBI:198915
ChEBI NameAmbewelamide B
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC26H28N2O8S2
Net Charge0
Average Mass560.650
Monoisotopic Mass560.12871
SMILESCCCCCC(=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/C26H28N2O8S2/c1-3-4-5-6-16(30)34-15-8-13-10-26-24(32)27-17-12(7-14(33-11(2)29)19-21(17)35-19)9-25(27,37-38-26)23(31)28(26)18(13)22-20(15)36-22/h7-8,14-15,17-22H,3-6,9-10H2,1-2H3/t14-,15-,17-,18-,19-,20-,21+,22+,25+,26+/m0/s1
InChIKeyRKEDAZXFFYMOPX-KGXXLAPYSA-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 B (CHEBI:198915) is a 2,5-diketopiperazines (CHEBI:65061)
Ambewelamide B (CHEBI:198915) is a indoles (CHEBI:24828)
Ambewelamide B (CHEBI:198915) is a organic disulfide (CHEBI:35489)
Ambewelamide B (CHEBI:198915) 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] hexanoate
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