CHEBI:209522 - Verticilide B1

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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 Verticilide B1
ChEBI ID CHEBI:209522
Stars This entity has been manually annotated by a third party.
Submitter MetaboLights
Supplier Information
Download Molfile XML SDF
Formula C33H57N3O9
Net Charge 0
Average Mass 639.831
Monoisotopic Mass 639.40948
InChI InChI=1S/C33H57N3O9/c1-10-13-16-19-25-28(37)34(7)23(5)32(41)44-27(21-18-15-12-3)30(39)36(9)24(6)33(42)45-26(20-17-14-11-2)29(38)35(8)22(4)31(40)43-25/h22-27H,10-21H2,1-9H3/t22-,23-,24-,25?,26?,27?/m0/s1
InChIKey IAASOIULJHHJRF-OGLSAIDSSA-N
SMILES O=C1OC(C(=O)N([C@H](C(=O)OC(C(=O)N([C@H](C(OC(C(N([C@H]1C)C)=O)CCCCC)=O)C)C)CCCCC)C)C)CCCCC
Metabolite of Species Details
Hypocrealesspecies FKI-2679 (NCBI:txid706523) 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 Verticilide B1 (CHEBI:209522) is a cyclodepsipeptide (CHEBI:35213)
IUPAC Name
(3S,9S,15S)-3,4,9,10,15,16-hexamethyl-6,12,18-tripentyl-1,7,13-trioxa-4,10,16-triazacyclooctadecane-2,5,8,11,14,17-hexone