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CHEBI:212615 - Antanapeptin A

ChEBI IDCHEBI:212615
ChEBI NameAntanapeptin A
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC41H60N4O8
Net Charge0
Average Mass736.951
Monoisotopic Mass736.44111
SMILESC#CCCCC1OC(=O)[C@H](C(C)CC)N(C)C(=O)[C@@H]2CCCN2C(=O)[C@H](C(C)C)OC(=O)[C@H](Cc2ccccc2)N(C)C(=O)[C@H](C(C)C)NC(=O)C1C
InChIInChI=1S/C41H60N4O8/c1-11-13-15-22-32-28(8)36(46)42-33(25(3)4)38(48)43(9)31(24-29-19-16-14-17-20-29)40(50)53-35(26(5)6)39(49)45-23-18-21-30(45)37(47)44(10)34(27(7)12-2)41(51)52-32/h1,14,16-17,19-20,25-28,30-35H,12-13,15,18,21-24H2,2-10H3,(H,42,46)/t27?,28?,30-,31-,32?,33-,34-,35-/m0/s1
InChIKeyHEWGADDUUGVTPF-CVZHIFNESA-N
Species of MetaboliteComponentSourceComments
Lyngbya majuscula (ncbitaxon:158786) - PubMed (11809058)
Roles Classification
Chemical Role:
Bronsted base  A molecular entity capable of accepting a hydron from a donor (Brønsted acid).
ChEBI Ontology
Outgoing Relation(s)
Antanapeptin A (CHEBI:212615) is a cyclodepsipeptide (CHEBI:35213)
IUPAC Name 
(3S,6S,9S,16S,19S)-6-benzyl-16-butan-2-yl-7,12,17-trimethyl-13-pent-4-ynyl-3,9-di(propan-2-yl)-4,14-dioxa-1,7,10,17-tetrazabicyclo[17.3.0]docosane-2,5,8,11,15,18-hexone
Manual XrefsDatabases
10478775ChemSpider