Itralamide A (CHEBI:217746)

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CHEBI:217746 - Itralamide A

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ChEBI ID	CHEBI:217746
ChEBI Name	Itralamide A
Stars
Submitter	MetaboLights
Downloads	Molfile

Formula	C36H54Cl2N6O8
Net Charge	0
Average Mass	769.768
Monoisotopic Mass	768.33802
SMILES	CC(CC(=O)N(C)[C@@H]1C(=O)N(C)[C@@H](C(C)C)C(=O)N[C@H](C)C(=O)N(C)[C@@H](C)C(=O)N(C)[C@H](Cc2ccccc2)C(=O)N[C@@H](C)C(=O)O[C@@H]1C)C(Cl)Cl
InChI	InChI=1S/C36H54Cl2N6O8/c1-19(2)28-32(47)39-21(4)33(48)41(8)23(6)34(49)42(9)26(18-25-15-13-12-14-16-25)31(46)40-22(5)36(51)52-24(7)29(35(50)44(28)11)43(10)27(45)17-20(3)30(37)38/h12-16,19-24,26,28-30H,17-18H2,1-11H3,(H,39,47)(H,40,46)/t20?,21-,22+,23+,24-,26-,28+,29+/m1/s1
InChIKey	KCTXBLDAYCJREC-AQWYKPIYSA-N

Species of Metabolite	Component	Source	Comments
Lyngbya majuscula (ncbitaxon:158786)	-	PubMed (19739598)

Roles Classification

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

ChEBI Ontology

Outgoing Relation(s)
	Itralamide A (CHEBI:217746) is a cyclodepsipeptide (CHEBI:35213)

IUPAC Name
N-[(3S,6R,9S,12R,15S,18S,19R)-6-benzyl-3,7,9,10,12,16,19-heptamethyl-2,5,8,11,14,17-hexaoxo-15-propan-2-yl-1-oxa-4,7,10,13,16-pentazacyclononadec-18-yl]-4,4-dichloro-N,3-dimethylbutanamide

Manual Xrefs	Databases
24655925	ChemSpider