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CHEBI:210002 - Verticilide A3

ChEBI IDCHEBI:210002
ChEBI NameVerticilide A3
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC46H80N4O12
Net Charge0
Average Mass881.162
Monoisotopic Mass880.57727
SMILESCCCCCCCC1OC(=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)N(C)C1=O
InChIInChI=1S/C46H80N4O12/c1-13-17-21-22-26-30-38-42(54)50(12)33(7)45(57)61-36(28-24-19-15-3)40(52)48(10)31(5)43(55)59-35(27-23-18-14-2)39(51)47(9)32(6)44(56)60-37(29-25-20-16-4)41(53)49(11)34(8)46(58)62-38/h31-38H,13-30H2,1-12H3/t31-,32+,33+,34-,35?,36?,37?,38?/m1/s1
InChIKeyKZFLZAJZRKYSKL-YDMISYQBSA-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 A3 (CHEBI:210002) is a cyclodepsipeptide (CHEBI:35213)
IUPAC Name 
(3S,9R,15S,21R)-6-heptyl-3,4,9,10,15,16,21,22-octamethyl-12,18,24-tripentyl-1,7,13,19-tetraoxa-4,10,16,22-tetrazacyclotetracosane-2,5,8,11,14,17,20,23-octone