CHEBI:205466 - Ambewelamide A

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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 A
ChEBI ID CHEBI:205466
Stars This entity has been manually annotated by a third party.
Submitter MetaboLights
Supplier Information
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Formula C24H24N2O8S2
Net Charge 0
Average Mass 532.580
Monoisotopic Mass 532.09741
InChI InChI=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
InChIKey OBYDDBDJKUQGLS-BIQXIOCUSA-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)CCC)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 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
Manual Xref Database
354943 ChemSpider
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