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CHEBI:210160 - Macrolactin W

ChEBI IDCHEBI:210160
ChEBI NameMacrolactin W
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC34H48O13
Net Charge0
Average Mass664.745
Monoisotopic Mass664.30949
SMILESCC1CCC/C=C\C=C/C(O)CC(O)C/C=C\C=C/C(OC(=O)CCC(=O)OC2OC(CO)C(O)C(O)C2O)C/C=C\C=C/C(=O)O1
InChIInChI=1S/C34H48O13/c1-23-13-7-3-2-4-8-14-24(36)21-25(37)15-9-5-10-16-26(17-11-6-12-18-28(38)44-23)45-29(39)19-20-30(40)47-34-33(43)32(42)31(41)27(22-35)46-34/h2,4-6,8-12,14,16,18,23-27,31-37,41-43H,3,7,13,15,17,19-22H2,1H3/b4-2-,9-5-,11-6-,14-8-,16-10-,18-12-
InChIKeyPZILNXCOIHJJCW-HCYIRJMRSA-N
Species of MetaboliteComponentSourceComments
Bacillusspecies (in: firmicutes) (ncbitaxon:1409) - PubMed (21570834)
ChEBI Ontology
Outgoing Relation(s)
Macrolactin W (CHEBI:210160) is a O-acyl carbohydrate (CHEBI:52782)
IUPAC Name 
1-O-[(3Z,5Z,9Z,11Z,17Z,19Z)-14,16-dihydroxy-24-methyl-2-oxo-1-oxacyclotetracosa-3,5,9,11,17,19-hexaen-8-yl] 4-O-[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl] butanedioate