Guineamide D (CHEBI:204124)

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CHEBI:204124 - Guineamide D

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ChEBI ID	CHEBI:204124
ChEBI Name	Guineamide D
Stars
Submitter	MetaboLights
Downloads	Molfile

Formula	C36H56N4O9
Net Charge	0
Average Mass	688.863
Monoisotopic Mass	688.40473
SMILES	CCCC1NC(=O)CNC(=O)[C@@H](Cc2ccc(OC)cc2)N(C)C(=O)[C@H](C(C)C)OC(=O)[C@H](C(C)C)N(C)C(=O)[C@H](C(C)C)OC(=O)C1C
InChI	InChI=1S/C36H56N4O9/c1-12-13-26-23(8)35(45)48-31(22(6)7)34(44)40(10)29(20(2)3)36(46)49-30(21(4)5)33(43)39(9)27(32(42)37-19-28(41)38-26)18-24-14-16-25(47-11)17-15-24/h14-17,20-23,26-27,29-31H,12-13,18-19H2,1-11H3,(H,37,42)(H,38,41)/t23?,26?,27-,29+,30+,31+/m1/s1
InChIKey	UFZHQKNOTHZBQG-WRCAOINYSA-N

Species of Metabolite	Component	Source	Comments
Lyngbya majuscula (ncbitaxon:158786)	-	PubMed (12828459)

Roles Classification

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

ChEBI Ontology

Outgoing Relation(s)
	Guineamide D (CHEBI:204124) is a cyclodepsipeptide (CHEBI:35213)

IUPAC Name
(2S,5S,8S,11R)-11-[(4-methoxyphenyl)methyl]-4,10,18-trimethyl-2,5,8-tri(propan-2-yl)-17-propyl-1,7-dioxa-4,10,13,16-tetrazacyclononadecane-3,6,9,12,15,19-hexone

Manual Xrefs	Databases
10140868	ChemSpider