Arthrichitin (CHEBI:212528)

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CHEBI:212528 - Arthrichitin

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ChEBI ID	CHEBI:212528
ChEBI Name	Arthrichitin
Stars
Submitter	MetaboLights
Downloads	Molfile

Formula	C33H46N4O9
Net Charge	0
Average Mass	642.750
Monoisotopic Mass	642.32648
SMILES	CCCCCCCCC(C)C1OC(=O)C(CO)NC(=O)C(C(=O)c2cnc3ccccc23)NC(=O)C(CCC(=O)O)NC(=O)C1C
InChI	InChI=1S/C33H46N4O9/c1-4-5-6-7-8-9-12-19(2)29-20(3)30(42)35-24(15-16-26(39)40)31(43)37-27(32(44)36-25(18-38)33(45)46-29)28(41)22-17-34-23-14-11-10-13-21(22)23/h10-11,13-14,17,19-20,24-25,27,29,34,38H,4-9,12,15-16,18H2,1-3H3,(H,35,42)(H,36,44)(H,37,43)(H,39,40)
InChIKey	VNRAPWIEXZLTKI-UHFFFAOYSA-N

Species of Metabolite	Component	Source	Comments
Arthrinium (ncbitaxon:112177)	-	PubMed (11667526)

Roles Classification

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

ChEBI Ontology

Outgoing Relation(s)
	Arthrichitin (CHEBI:212528) is a cyclodepsipeptide (CHEBI:35213)

IUPAC Name
3-[13-decan-2-yl-3-(hydroxymethyl)-6-(1H-indole-3-carbonyl)-12-methyl-2,5,8,11-tetraoxo-1-oxa-4,7,10-triazacyclotridec-9-yl]propanoic acid

Manual Xrefs	Databases
28590602	ChemSpider