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CHEBI:222848 - Looekeyolide B

ChEBI IDCHEBI:222848
ChEBI NameLooekeyolide B
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC32H57NO12S
Net Charge0
Average Mass679.870
Monoisotopic Mass679.36015
SMILESCCC[C@H]1OC(=O)[C@@H](CC(C)C)NC(=O)[C@H](CCS(C)=O)OC(=O)C[C@H](OC)[C@H](C)[C@H]2C[C@@H](OC)[C@@](C)(O)[C@@](O)(C[C@@H](O)[C@@H]1C)O2
InChIInChI=1S/C32H57NO12S/c1-10-11-23-19(4)22(34)17-32(39)31(6,38)27(42-8)15-26(45-32)20(5)25(41-7)16-28(35)43-24(12-13-46(9)40)29(36)33-21(14-18(2)3)30(37)44-23/h18-27,34,38-39H,10-17H2,1-9H3,(H,33,36)/t19-,20-,21+,22+,23+,24-,25-,26+,27+,31+,32+,46?/m0/s1
InChIKeyWFSSGJUWBXEUCZ-ZXUGPSLRSA-N
Species of MetaboliteComponentSourceComments
Roseofilum reptotaenium (ncbitaxon:1233427) - PubMed (30636420)
Roles Classification
Chemical Role:
Bronsted base  A molecular entity capable of accepting a hydron from a donor (Brønsted acid).
ChEBI Ontology
Outgoing Relation(s)
Looekeyolide B (CHEBI:222848) is a cyclodepsipeptide (CHEBI:35213)
IUPAC Name 
(1R,2S,3S,7S,10R,13R,14S,15R,17R,18R,19R)-15,17,18-trihydroxy-3,19-dimethoxy-2,14,18-trimethyl-10-(2-methylpropyl)-7-(2-methylsulinylethyl)-13-propyl-6,12,21-trioxa-9-azabicyclo[15.3.1]henicosane-5,8,11-trione
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