CHEBI:208555 - Alternaramide

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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 Alternaramide
ChEBI ID CHEBI:208555
Stars This entity has been manually annotated by a third party.
Submitter MetaboLights
Supplier Information
Download Molfile XML SDF
Formula C33H40N4O6
Net Charge 0
Average Mass 588.705
Monoisotopic Mass 588.29479
InChI InChI=1S/C33H40N4O6/c1-21(2)28-30(39)35-25(20-23-13-7-4-8-14-23)31(40)36-17-9-15-26(36)29(38)34-24(19-22-11-5-3-6-12-22)32(41)37-18-10-16-27(37)33(42)43-28/h3-8,11-14,21,24-28H,9-10,15-20H2,1-2H3,(H,34,38)(H,35,39)/t24-,25-,26+,27+,28+/m1/s1
InChIKey IZCWSRIIMBIBGB-MASCHLQQSA-N
SMILES O=C1N2[C@H](C(=O)N[C@@H](C(=O)N3CCC[C@H]3C(O[C@H](C(N[C@@H]1CC4=CC=CC=C4)=O)C(C)C)=O)CC5=CC=CC=C5)CCC2
Metabolite of Species Details
Alternariaspecies SF-5016 (NCBI:txid678553) See: PubMed
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 Alternaramide (CHEBI:208555) is a cyclodepsipeptide (CHEBI:35213)
IUPAC Name
(3R,6S,12R,15S,18S)-3,12-dibenzyl-15-propan-2-yl-16-oxa-1,4,10,13-tetrazatricyclo[16.3.0.06,10]henicosane-2,5,11,14,17-pentone
Manual Xref Database
24684136 ChemSpider
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