CHEBI:218984 - Verticilide A1

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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 A1
ChEBI ID CHEBI:218984
Stars This entity has been manually annotated by a third party.
Submitter MetaboLights
Supplier Information
Download Molfile XML SDF
Formula C44H76N4O12
Net Charge 0
Average Mass 853.108
Monoisotopic Mass 852.54597
InChI InChI=1S/C44H76N4O12/c1-13-17-21-25-33-37(49)45(9)30(6)42(54)58-35(27-23-19-15-3)39(51)47(11)32(8)44(56)60-36(28-24-20-16-4)40(52)48(12)31(7)43(55)59-34(26-22-18-14-2)38(50)46(10)29(5)41(53)57-33/h29-36H,13-28H2,1-12H3/t29-,30+,31+,32-,33-,34-,35-,36-/m1/s1
InChIKey CMEGQABRBDDBTQ-YVZXVIIVSA-N
SMILES O=C1O[C@@H](C(=O)N([C@@H](C(=O)O[C@@H](C(=O)N([C@H](C(=O)O[C@@H](C(N([C@@H](C(O[C@@H](C(N([C@H]1C)C)=O)CCCCC)=O)C)C)=O)CCCCC)C)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 )
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ChEBI Ontology
Outgoing Verticilide A1 (CHEBI:218984) is a cyclodepsipeptide (CHEBI:35213)
IUPAC Name
(3R,6R,9S,12R,15R,18R,21S,24R)-3,4,9,10,15,16,21,22-octamethyl-6,12,18,24-tetrapentyl-1,7,13,19-tetraoxa-4,10,16,22-tetrazacyclotetracosane-2,5,8,11,14,17,20,23-octone