CHEBI:218989 - Verticilide A2

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This entity has been annotated by a third party. If you would like more information added to this entry, please contact ChEBI via email or GitHub.
ChEBI Name Verticilide A2
ChEBI ID CHEBI:218989
Stars This entity has been manually annotated by a third party.
Submitter MetaboLights
Supplier Information
Download Molfile XML SDF
Formula C43H74N4O12
Net Charge 0
Average Mass 839.081
Monoisotopic Mass 838.53032
InChI InChI=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
InChIKey NCNWFFJOZKHMDH-NJQLNGANSA-N
SMILES O=C1OC(C(=O)N([C@H](C(=O)OC(C(=O)N[C@@H](C(=O)OC(C(N([C@H](C(OC(C(N([C@@H]1C)C)=O)CCCCC)=O)C)C)=O)CCCCC)C)CCCCC)C)C)CCCCC
Metabolite of Species Details
Hypocrealesspecies FKI-2679 (NCBI:txid706523) See: PubMed
Roles Classification
Chemical Role(s): Bronsted base
A molecular entity capable of accepting a hydron from a donor (Bronsted acid).
(via organic amino compound )
View more via ChEBI Ontology
ChEBI Ontology
Outgoing 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