CHEBI:204327 - Viequeamide 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 Viequeamide B
ChEBI ID CHEBI:204327
Stars This entity has been manually annotated by a third party.
Submitter MetaboLights
Supplier Information
Download Molfile XML SDF
Formula C44H65N5O9
Net Charge 0
Average Mass 808.030
Monoisotopic Mass 807.47823
InChI InChI=1S/C44H65N5O9/c1-13-14-16-23-33-44(9,10)43(56)46-34(26(2)3)40(53)48(12)36(28(6)7)42(55)57-32(25-30-20-17-15-18-21-30)39(52)49-24-19-22-31(49)38(51)47(11)29(8)37(50)45-35(27(4)5)41(54)58-33/h1,15,17-18,20-21,26-29,31-36H,14,16,19,22-25H2,2-12H3,(H,45,50)(H,46,56)/t29-,31-,32-,33-,34-,35?,36-/m0/s1
InChIKey OUTOCBREWFCORV-MSWWGIQISA-N
SMILES O=C1N[C@H](C(=O)N([C@H](C(=O)O[C@H](C(=O)N2[C@@H](CCC2)C(N([C@H](C(NC(C(O[C@H](C1(C)C)CCCC#C)=O)C(C)C)=O)C)C)=O)CC3=CC=CC=C3)C(C)C)C)C(C)C
Metabolite of Species Details
Rivulariaspecies (in: cyanobacteria) (NCBI:txid2047365) 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 Viequeamide B (CHEBI:204327) is a cyclodepsipeptide (CHEBI:35213)
IUPAC Name
(3S,6S,9S,13S,19S,22S)-3-benzyl-7,12,12,19,20-pentamethyl-13-pent-4-ynyl-6,9,16-tri(propan-2-yl)-4,14-dioxa-1,7,10,17,20-pentazabicyclo[20.3.0]pentacosane-2,5,8,11,15,18,21-heptone
Manual Xref Database
78440185 ChemSpider
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