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CHEBI:208734 - Alveolaride C

ChEBI IDCHEBI:208734
ChEBI NameAlveolaride C
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC43H60N6O9
Net Charge0
Average Mass804.986
Monoisotopic Mass804.44218
SMILESCCCCCCCCCCC(C)C1OC(=O)C[C@@H](c2ccccc2)NC(=O)[C@H](CCC(N)=O)NC(=O)[C@H](Cc2cnc3ccccc23)NC(=O)[C@@H](CO)NC(=O)C1O
InChIInChI=1S/C43H60N6O9/c1-3-4-5-6-7-8-9-11-16-27(2)39-38(53)43(57)49-35(26-50)42(56)48-34(23-29-25-45-31-20-15-14-19-30(29)31)41(55)46-32(21-22-36(44)51)40(54)47-33(24-37(52)58-39)28-17-12-10-13-18-28/h10,12-15,17-20,25,27,32-35,38-39,45,50,53H,3-9,11,16,21-24,26H2,1-2H3,(H2,44,51)(H,46,55)(H,47,54)(H,48,56)(H,49,57)/t27?,32-,33-,34-,35+,38?,39?/m0/s1
InChIKeyQUYAZHHOUVIPLI-VOLQTGMNSA-N
Species of MetaboliteComponentSourceComments
Microascus (ncbitaxon:5594) - PubMed (29283257)
Roles Classification
Chemical Role:
Bronsted base  A molecular entity capable of accepting a hydron from a donor (Brønsted acid).
ChEBI Ontology
Outgoing Relation(s)
Alveolaride C (CHEBI:208734) is a peptide (CHEBI:16670)
IUPAC Name 
3-[(4S,7S,10S,13R)-17-dodecan-2-yl-16-hydroxy-13-(hydroxymethyl)-10-(1H-indol-3-ylmethyl)-2,6,9,12,15-pentaoxo-4-phenyl-1-oxa-5,8,11,14-tetrazacycloheptadec-7-yl]propanamide
Manual XrefsDatabases
78445371ChemSpider