44-Homooligomycin A (CHEBI:218997)

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CHEBI:218997 - 44-Homooligomycin A

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ChEBI ID	CHEBI:218997
ChEBI Name	44-Homooligomycin A
Stars
Submitter	MetaboLights
Downloads	Molfile

Formula	C46H76O11
Net Charge	0
Average Mass	805.103
Monoisotopic Mass	804.53876
SMILES	CCC1C=CC=CCC(C)C(O)C(C)(O)C(=O)C(C)C(O)C(C)C(=O)C(C)C(O)C(C)C=CC(=O)OC2C(C)C(CC1)OC1(CCC(C)C(CC(C)O)O1)C2CC
InChI	InChI=1S/C46H76O11/c1-12-34-18-16-14-15-17-28(5)43(52)45(11,54)44(53)33(10)41(51)32(9)40(50)31(8)39(49)27(4)19-22-38(48)55-42-30(7)36(21-20-34)56-46(35(42)13-2)24-23-26(3)37(57-46)25-29(6)47/h14-16,18-19,22,26-37,39,41-43,47,49,51-52,54H,12-13,17,20-21,23-25H2,1-11H3
InChIKey	APJPYXAUMOLFTM-UHFFFAOYSA-N

Species of Metabolite	Component	Source	Comments
Streptomyces (ncbitaxon:1883)	-	PubMed (1556008)

ChEBI Ontology

Outgoing Relation(s)
	44-Homooligomycin A (CHEBI:218997) is a macrolide (CHEBI:25106)

IUPAC Name
22,28-diethyl-7,11,14,15-tetrahydroxy-6'-(2-hydroxypropyl)-5',6,8,10,12,14,16,29-octamethylspiro[2,26-dioxabicyclo[23.3.1]nonacosa-4,18,20-triene-27,2'-oxane]-3,9,13-trione