CHEBI:197552 - Macrolactin P

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This entity has been annotated by a third party. If you would like more information added to this entry, please contact ChEBI via email or GitHub.
ChEBI Name Macrolactin P
ChEBI ID CHEBI:197552
Stars This entity has been manually annotated by a third party.
Submitter MetaboLights
Supplier Information
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Formula C31H46O10
Net Charge 0
Average Mass 578.699
Monoisotopic Mass 578.30910
InChI InChI=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
InChIKey SVHVXVRYDBFIMU-JHHGODBBSA-N
SMILES O=C1O[C@@H](CCCC=CC=C[C@H](O)C[C@@H](O)CC=CC=C[C@H](CC=CC=C1)O[C@@H]2O[C@@H]([C@@H](O)[C@@H]([C@H]2O)O)CO)CC
Metabolite of Species Details
Bacillus (NCBI:txid1386) See: PubMed
ChEBI Ontology
Outgoing 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 Xref Database
78440677 ChemSpider
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