CHEBI:208768 - FJ120DPA

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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 FJ120DPA
ChEBI ID CHEBI:208768
Stars This entity has been manually annotated by a third party.
Submitter MetaboLights
Supplier Information
Download Molfile XML SDF
Formula C38H50N6O9
Net Charge 0
Average Mass 734.851
Monoisotopic Mass 734.36393
InChI InChI=1S/C38H50N6O9/c1-21(2)31-37(51)44-18-10-13-29(44)33(47)41-28(19-26-14-16-27(46)17-15-26)36(50)43(6)30(20-25-11-8-7-9-12-25)34(48)39-22(3)38(52)53-23(4)32(35(49)42-31)40-24(5)45/h7-9,11-12,14-17,21-23,28-32,46H,10,13,18-20H2,1-6H3,(H,39,48)(H,40,45)(H,41,47)(H,42,49)/t22-,23+,28-,29-,30-,31+,32-/m0/s1
InChIKey XXGGUYOBOGKLEA-SDUBJODWSA-N
SMILES O=C1O[C@@H]([C@H](NC(=O)C)C(=O)N[C@@H](C(=O)N2[C@@H](CCC2)C(N[C@H](C(N([C@H](C(N[C@H]1C)=O)CC3=CC=CC=C3)C)=O)CC4=CC=C(O)C=C4)=O)C(C)C)C
Metabolite of Species Details
Aspergillus ochraceopetaliformis (NCBI:txid176175) 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 FJ120DPA (CHEBI:208768) is a cyclodepsipeptide (CHEBI:35213)
IUPAC Name
N-[(3R,6S,7R,10S,13S,16S,19S)-13-benzyl-16-[(4-hydroxyphenyl)methyl]-7,10,14-trimethyl-2,5,9,12,15,18-hexaoxo-3-propan-2-yl-8-oxa-1,4,11,14,17-pentazabicyclo[17.3.0]docosan-6-yl]acetamide
Manual Xref Database
80564760 ChemSpider
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