EMBL-EBI | Chemical Biology | ChEBI

Example searches: iron*, InChI=1S/CH4O/c1-2/h2H,1H3, caffeine | Advanced Search

CHEBI:208722 - Alveolaride A

ChEBI IDCHEBI:208722
ChEBI NameAlveolaride A
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC43H70N6O12
Net Charge0
Average Mass863.063
Monoisotopic Mass862.50517
SMILESCCCCCCCCCCC(C)C1OC(=O)C[C@@H](c2ccccc2)NC(=O)[C@H](CCC(N)=O)NC(=O)[C@H](CCC(=O)NC(C)C(O)CCCO)NC(=O)[C@@H](CO)NC(=O)C1O
InChIInChI=1S/C43H70N6O12/c1-4-5-6-7-8-9-10-12-16-27(2)39-38(56)43(60)49-33(26-51)42(59)47-31(21-23-36(54)45-28(3)34(52)19-15-24-50)40(57)46-30(20-22-35(44)53)41(58)48-32(25-37(55)61-39)29-17-13-11-14-18-29/h11,13-14,17-18,27-28,30-34,38-39,50-52,56H,4-10,12,15-16,19-26H2,1-3H3,(H2,44,53)(H,45,54)(H,46,57)(H,47,59)(H,48,58)(H,49,60)/t27?,28?,30-,31-,32-,33+,34?,38?,39?/m0/s1
InChIKeyTWPIBNJUDNTFRG-MIGBVBJUSA-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 A (CHEBI:208722) is a peptide (CHEBI:16670)
IUPAC Name 
3-[(4S,7S,10S,13R)-10-[3-(3,6-dihydroxyhexan-2-ylamino)-3-oxopropyl]-17-dodecan-2-yl-16-hydroxy-13-(hydroxymethyl)-2,6,9,12,15-pentaoxo-4-phenyl-1-oxa-5,8,11,14-tetrazacycloheptadec-7-yl]propanamide
Manual XrefsDatabases
78445369ChemSpider