CHEBI:198915 - Ambewelamide B

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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 Ambewelamide B
ChEBI ID CHEBI:198915
Stars This entity has been manually annotated by a third party.
Submitter MetaboLights
Supplier Information
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Formula C26H28N2O8S2
Net Charge 0
Average Mass 560.640
Monoisotopic Mass 560.12871
InChI InChI=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
InChIKey RKEDAZXFFYMOPX-KGXXLAPYSA-N
SMILES S1S[C@]23N([C@@H]4[C@H]5O[C@H]5[C@H](C=C4C2)OC(=O)C)C([C@]16N([C@@H]7[C@H]8O[C@H]8[C@H](C=C7C6)OC(=O)CCCCC)C3=O)=O
Metabolite of Species Details
Usneaspecies (NCBI:txid2015053) See: DOI
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 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
Manual Xref Database
24604838 ChemSpider
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