Dudawalamide B (CHEBI:207845)

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CHEBI:207845 - Dudawalamide B

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ChEBI ID	CHEBI:207845
ChEBI Name	Dudawalamide B
Stars
Submitter	MetaboLights
Downloads	Molfile

Formula	C44H59N5O8
Net Charge	0
Average Mass	785.983
Monoisotopic Mass	785.43636
SMILES	C#CCCC[C@@H]1OC(=O)[C@H](C)NC(=O)[C@H](Cc2ccc(OC)cc2)N(C)C(=O)[C@@H]2CCCN2C(=O)[C@H](Cc2ccccc2)N(C)C(=O)[C@H](C(C)C)NC(=O)C1(C)C
InChI	InChI=1S/C44H59N5O8/c1-10-11-13-20-36-44(5,6)43(55)46-37(28(2)3)41(53)48(8)35(27-30-17-14-12-15-18-30)40(52)49-25-16-19-33(49)39(51)47(7)34(38(50)45-29(4)42(54)57-36)26-31-21-23-32(56-9)24-22-31/h1,12,14-15,17-18,21-24,28-29,33-37H,11,13,16,19-20,25-27H2,2-9H3,(H,45,50)(H,46,55)/t29-,33-,34-,35-,36-,37-/m0/s1
InChIKey	HJYCXTGQLGFPMU-CKCVZSQNSA-N

Species of Metabolite	Component	Source	Comments
Moorena producens (ncbitaxon:1155739)	-	PubMed (28535042)

Roles Classification

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

ChEBI Ontology

Outgoing Relation(s)
	Dudawalamide B (CHEBI:207845) is a cyclodepsipeptide (CHEBI:35213)

IUPAC Name
(3S,6S,10S,13S,16S,19S)-3-benzyl-16-[(4-methoxyphenyl)methyl]-4,9,9,13,17-pentamethyl-10-pent-4-ynyl-6-propan-2-yl-11-oxa-1,4,7,14,17-pentazabicyclo[17.3.0]docosane-2,5,8,12,15,18-hexone

Manual Xrefs	Databases
61708705	ChemSpider