etnangien (CHEBI:65868)

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CHEBI:65868 - etnangien

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ChEBI ID	CHEBI:65868
ChEBI Name	etnangien
Stars
Definition	A macrolide antibiotic isolated from the culture broth of the myxobacterium Sorangium cellulosum and has been found to be active against Gram-positive bacteria.
Last Modified	22 January 2013
Downloads	Molfile

Formula	C49H76O11
Net Charge	0
Average Mass	841.136
Monoisotopic Mass	840.53876
SMILES	[H][C@@]1([C@H](C)[C@H](O)/C=C(C)/C=C/C=C/C=C/C=C/C=C/C[C@H](O)/C=C(\C)CCC(=O)O)C[C@H](O)CCC[C@H](OC)C/C=C\C=C\C[C@H](C)[C@@H](O)[C@H](C)[C@@H](O)[C@H](C)[C@H](O)CC(=O)O1
InChI	InChI=1S/C49H76O11/c1-34(22-17-13-11-9-8-10-12-14-19-24-40(50)30-35(2)28-29-46(54)55)31-43(52)37(4)45-32-41(51)25-21-27-42(59-7)26-20-16-15-18-23-36(3)48(57)39(6)49(58)38(5)44(53)33-47(56)60-45/h8-20,22,30-31,36-45,48-53,57-58H,21,23-29,32-33H2,1-7H3,(H,54,55)/b9-8+,12-10+,13-11+,18-15+,19-14+,20-16-,22-17+,34-31+,35-30+/t36-,37+,38+,39-,40-,41+,42+,43+,44+,45-,48+,49-/m0/s1
InChIKey	VHPBIOVAVQXSJO-DLGDGFEOSA-N

Species of Metabolite	Component	Source	Comments
Sorangium cellulosum (ncbitaxon:56)
	-	PubMed (17547459)	Strain: So ce1045
	-	PubMed (17547459)	Strain: So ce750

Roles Classification

Chemical Role:	Bronsted acid A molecular entity capable of donating a hydron to an acceptor (Brønsted base).
Biological Roles:	antibacterial agent A substance (or active part thereof) that kills or slows the growth of bacteria. metabolite Any intermediate or product resulting from metabolism. The term 'metabolite' subsumes the classes commonly known as primary and secondary metabolites. antimicrobial agent A substance that kills or slows the growth of microorganisms, including bacteria, viruses, fungi and protozoans.

ChEBI Ontology

Outgoing Relation(s)
	etnangien (CHEBI:65868) has role antibacterial agent (CHEBI:33282)
	etnangien (CHEBI:65868) has role metabolite (CHEBI:25212)
	etnangien (CHEBI:65868) is a hydroxy monocarboxylic acid (CHEBI:35868)
	etnangien (CHEBI:65868) is a macrolide antibiotic (CHEBI:25105)

IUPAC Name
(4E,6S,8E,10E,12E,14E,16E,18E,20R,21R)-6,20-dihydroxy-4,18-dimethyl-21-[(2S,4R,8S,10Z,12E,15S,16R,17S,18S,19R,20R)-4,16,18,20-tetrahydroxy-8-methoxy-15,17,19-trimethyl-22-oxooxacyclodocosa-10,12-dien-2-yl]docosa-4,8,10,12,14,16,18-heptaenoic acid

Manual Xrefs	Databases
EP2247740	Patent
DE19630980	Patent
EP2014655	Patent
WO2008142046	Patent

Registry Numbers	Sources
Reaxys:18923823	Reaxys

Citations