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CHEBI:218989 - Verticilide A2

ChEBI IDCHEBI:218989
ChEBI NameVerticilide A2
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC43H74N4O12
Net Charge0
Average Mass839.081
Monoisotopic Mass838.53032
SMILESCCCCCC1OC(=O)[C@H](C)N(C)C(=O)C(CCCCC)OC(=O)[C@@H](C)N(C)C(=O)C(CCCCC)OC(=O)[C@H](C)N(C)C(=O)C(CCCCC)OC(=O)[C@@H](C)NC1=O
InChIInChI=1S/C43H74N4O12/c1-12-16-20-24-32-36(48)44-28(5)40(52)57-33(25-21-17-13-2)37(49)46(10)30(7)42(54)59-35(27-23-19-15-4)39(51)47(11)31(8)43(55)58-34(26-22-18-14-3)38(50)45(9)29(6)41(53)56-32/h28-35H,12-27H2,1-11H3,(H,44,48)/t28-,29+,30+,31-,32?,33?,34?,35?/m1/s1
InChIKeyNCNWFFJOZKHMDH-NJQLNGANSA-N
Species of MetaboliteComponentSourceComments
Hypocrealesspecies FKI-2679 (ncbitaxon:706523) - PubMed (22415459)
Roles Classification
Chemical Role:
Bronsted base  A molecular entity capable of accepting a hydron from a donor (Brønsted acid).
ChEBI Ontology
Outgoing Relation(s)
Verticilide A2 (CHEBI:218989) is a cyclodepsipeptide (CHEBI:35213)
IUPAC Name 
(3S,9R,15S,21R)-3,4,9,10,15,16,21-heptamethyl-6,12,18,24-tetrapentyl-1,7,13,19-tetraoxa-4,10,16,22-tetrazacyclotetracosane-2,5,8,11,14,17,20,23-octone