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 ce750
	-	PubMed (17547459)	Strain: So ce1045

Roles Classification

Chemical Role:	Bronsted acid A molecular entity capable of donating a hydron to an acceptor (Brønsted base).
Biological Roles:	metabolite Any intermediate or product resulting from metabolism. The term 'metabolite' subsumes the classes commonly known as primary and secondary metabolites. antibacterial agent A substance (or active part thereof) that kills or slows the growth of bacteria. 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
DE19630980	Patent
EP2014655	Patent
EP2247740	Patent
WO2008142046	Patent

Registry Numbers	Sources
Reaxys:18923823	Reaxys

Citations