Verticilide A1 (CHEBI:218984)

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CHEBI:218984 - Verticilide A1

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ChEBI ID	CHEBI:218984
ChEBI Name	Verticilide A1
Stars
Submitter	MetaboLights
Downloads	Molfile

Formula	C44H76N4O12
Net Charge	0
Average Mass	853.108
Monoisotopic Mass	852.54597
SMILES	CCCCC[C@H]1OC(=O)[C@H](C)N(C)C(=O)[C@@H](CCCCC)OC(=O)[C@@H](C)N(C)C(=O)[C@@H](CCCCC)OC(=O)[C@H](C)N(C)C(=O)[C@@H](CCCCC)OC(=O)[C@@H](C)N(C)C1=O
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

Species of Metabolite	Component	Source	Comments
Hypocrealesspecies FKI-2679 (ncbitaxon:706523)	-	PubMed (22415459)

Roles Classification

Bronsted base A molecular entity capable of accepting a hydron from a donor (Brønsted acid).

ChEBI Ontology

Outgoing Relation(s)
	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