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CHEBI:197552 - Macrolactin P

ChEBI IDCHEBI:197552
ChEBI NameMacrolactin P
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC31H46O10
Net Charge0
Average Mass578.699
Monoisotopic Mass578.30910
SMILESCC[C@@H]1CCC/C=C/C=C/[C@H](O)C[C@@H](O)C/C=C\C=C\[C@@H](O[C@@H]2O[C@H](CO)[C@@H](O)[C@H](O)[C@H]2O)C/C=C/C=C\C(=O)O1
InChIInChI=1S/C31H46O10/c1-2-24-16-10-5-3-4-8-14-22(33)20-23(34)15-9-6-11-17-25(18-12-7-13-19-27(35)39-24)40-31-30(38)29(37)28(36)26(21-32)41-31/h3-4,6-9,11-14,17,19,22-26,28-34,36-38H,2,5,10,15-16,18,20-21H2,1H3/b4-3+,9-6-,12-7+,14-8+,17-11+,19-13-/t22-,23-,24+,25+,26+,28+,29-,30+,31+/m0/s1
InChIKeySVHVXVRYDBFIMU-JHHGODBBSA-N
Species of MetaboliteComponentSourceComments
Bacillus (ncbitaxon:1386) - PubMed (17887720)
ChEBI Ontology
Outgoing Relation(s)
Macrolactin P (CHEBI:197552) is a macrolide (CHEBI:25106)
IUPAC Name 
(3Z,5E,8S,9E,11Z,14S,16R,17E,19E,24R)-24-ethyl-14,16-dihydroxy-8-[(2R,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-1-oxacyclotetracosa-3,5,9,11,17,19-hexaen-2-one
Manual XrefsDatabases
78440677ChemSpider