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CHEBI:214125 - Macrolactin U

ChEBI IDCHEBI:214125
ChEBI NameMacrolactin U
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC31H44O4
Net Charge0
Average Mass480.689
Monoisotopic Mass480.32396
SMILESC=C/C=C(\C)CCC(O)C/C=C\C=C(/C)C(O)CC/C=C/C=C\C=C/C[C@@H]1OC(=O)C=C(C)[C@@H]1C
InChIInChI=1S/C31H44O4/c1-6-16-24(2)21-22-28(32)18-15-14-17-25(3)29(33)19-12-10-8-7-9-11-13-20-30-27(5)26(4)23-31(34)35-30/h6-11,13-17,23,27-30,32-33H,1,12,18-22H2,2-5H3/b9-7-,10-8+,13-11-,15-14-,24-16+,25-17+/t27-,28?,29?,30-/m0/s1
InChIKeyRGBYWZNUGLOERG-SLDLAKAUSA-N
Species of MetaboliteComponentSourceComments
Jeotgalibacillus marinus (ncbitaxon:86667) - PubMed (19168981)
ChEBI Ontology
Outgoing Relation(s)
Macrolactin U (CHEBI:214125) is a long-chain fatty alcohol (CHEBI:17135)
IUPAC Name 
(2S,3S)-2-[(2Z,4Z,6E,11E,13Z,19E)-10,16-dihydroxy-11,19-dimethyldocosa-2,4,6,11,13,19,21-heptaenyl]-3,4-dimethyl-2,3-dihydropyran-6-one
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27023837ChemSpider