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CHEBI:209611 - Viequeamide A

ChEBI IDCHEBI:209611
ChEBI NameViequeamide A
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC42H69N5O10
Net Charge0
Average Mass804.039
Monoisotopic Mass803.50444
SMILESC#CCCC[C@@H]1OC(=O)C([C@@H](C)O)NC(=O)[C@H](C(C)C)N(C)C(=O)[C@@H]2CCCN2C(=O)[C@@H]([C@@H](C)CC)OC(=O)[C@H](C(C)C)N(C)C(=O)[C@H](C(C)C)NC(=O)C1(C)C
InChIInChI=1S/C42H69N5O10/c1-15-17-18-21-29-42(11,12)41(55)44-30(23(3)4)37(51)46(14)33(25(7)8)40(54)57-34(26(9)16-2)38(52)47-22-19-20-28(47)36(50)45(13)32(24(5)6)35(49)43-31(27(10)48)39(53)56-29/h1,23-34,48H,16-22H2,2-14H3,(H,43,49)(H,44,55)/t26-,27+,28-,29-,30-,31?,32-,33-,34+/m0/s1
InChIKeyWRHBDNJXUOKAGU-JKHSHXPWSA-N
Species of MetaboliteComponentSourceComments
Rivulariaspecies (in: cyanobacteria) (ncbitaxon:2047365) - PubMed (22924493)
Roles Classification
Chemical Role:
Bronsted base  A molecular entity capable of accepting a hydron from a donor (Brønsted acid).
ChEBI Ontology
Outgoing Relation(s)
Viequeamide A (CHEBI:209611) is a cyclodepsipeptide (CHEBI:35213)
IUPAC Name 
(3R,6S,9S,13S,19S,22S)-3-[(2S)-butan-2-yl]-16-[(1R)-1-hydroxyethyl]-7,12,12,20-tetramethyl-13-pent-4-ynyl-6,9,19-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 XrefsDatabases
28290050ChemSpider