Medusamide A (CHEBI:216195)

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CHEBI:216195 - Medusamide A

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ChEBI ID	CHEBI:216195
ChEBI Name	Medusamide A
Stars
Submitter	MetaboLights
Downloads	Molfile

Formula	C44H79N5O9
Net Charge	0
Average Mass	822.142
Monoisotopic Mass	821.58778
SMILES	CCC[C@H]1NC(=O)[C@@H](CC(C)C)OC(=O)[C@H](C(C)C)OC(=O)[C@@H](C(C)C)NC(=O)[C@H](C)[C@@H](CCC)NC(=O)[C@H](C)[C@@H](CCC)NC(=O)[C@H](C)[C@@H](CCC)NC(=O)[C@@H]1C
InChI	InChI=1S/C44H79N5O9/c1-15-19-31-28(12)39(51)47-33(21-17-3)30(14)41(53)49-36(25(7)8)43(55)58-37(26(9)10)44(56)57-35(23-24(5)6)42(54)48-34(22-18-4)29(13)40(52)46-32(20-16-2)27(11)38(50)45-31/h24-37H,15-23H2,1-14H3,(H,45,50)(H,46,52)(H,47,51)(H,48,54)(H,49,53)/t27-,28-,29-,30-,31-,32-,33-,34-,35-,36-,37+/m1/s1
InChIKey	ZGUPGLAEKHCUSL-WLHCDTGTSA-N

Species of Metabolite	Component	Source	Comments
Cyanobacterium (ncbitaxon:102234)	-	PubMed (26784681)

Roles Classification

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

ChEBI Ontology

Outgoing Relation(s)
	Medusamide A (CHEBI:216195) is a cyclodepsipeptide (CHEBI:35213)

IUPAC Name
(3S,6R,9R,10R,13R,14R,17R,18R,21R,22R,25R)-9,13,17,21-tetramethyl-25-(2-methylpropyl)-3,6-di(propan-2-yl)-10,14,18,22-tetrapropyl-1,4-dioxa-7,11,15,19,23-pentazacyclopentacosane-2,5,8,12,16,20,24-heptone

Manual Xrefs	Databases
58196519	ChemSpider