7-O-2′E-butenoyl macrolactin A (CHEBI:220075)

EMBL-EBI | Chemical Biology | ChEBI

Example searches: iron*, InChI=1S/CH4O/c1-2/h2H,1H3, caffeine | Advanced Search

CHEBI:220075 - 7-O-2′E-butenoyl macrolactin A

Default Structure

Take structure to advanced search

ChEBI ID	CHEBI:220075
ChEBI Name	7-O-2′E-butenoyl macrolactin A
Stars
Submitter	MetaboLights
Downloads	Molfile

Formula	C28H38O6
Net Charge	0
Average Mass	470.606
Monoisotopic Mass	470.26684
SMILES	C/C=C/C(=O)O[C@@H]1/C=C/C=C\C[C@H](O)C[C@@H](O)/C=C/C=C/CCC[C@H](C)OC(=O)/C=C\C=C\C1
InChI	InChI=1S/C28H38O6/c1-3-15-27(31)34-26-19-12-7-11-18-25(30)22-24(29)17-10-6-4-5-9-16-23(2)33-28(32)21-14-8-13-20-26/h3-4,6-8,10-15,17,19,21,23-26,29-30H,5,9,16,18,20,22H2,1-2H3/b6-4+,11-7-,13-8+,15-3+,17-10+,19-12+,21-14-/t23-,24-,25-,26+/m0/s1
InChIKey	GPAVSOORVSIRRW-DEHRZPGBSA-N

Species of Metabolite	Component	Source	Comments
Bacillus (ncbitaxon:1386)	-	PubMed (27071303)

ChEBI Ontology

Outgoing Relation(s)
	7-O-2′E-butenoyl macrolactin A (CHEBI:220075) is a macrolide (CHEBI:25106)

IUPAC Name
[(3Z,5E,8S,9E,11Z,14S,16R,17E,19E,24S)-14,16-dihydroxy-24-methyl-2-oxo-1-oxacyclotetracosa-3,5,9,11,17,19-hexaen-8-yl] (E)-but-2-enoate

Manual Xrefs	Databases
58197347	ChemSpider