CHEBI:222842 - Looekeyolide A

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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 Looekeyolide A
ChEBI ID CHEBI:222842
Stars This entity has been manually annotated by a third party.
Submitter MetaboLights
Supplier Information
Download Molfile XML SDF
Formula C32H57NO11S
Net Charge 0
Average Mass 663.860
Monoisotopic Mass 663.36523
InChI InChI=1S/C32H57NO11S/c1-10-11-23-19(4)22(34)17-32(39)31(6,38)27(41-8)15-26(44-32)20(5)25(40-7)16-28(35)42-24(12-13-45-9)29(36)33-21(14-18(2)3)30(37)43-23/h18-27,34,38-39H,10-17H2,1-9H3,(H,33,36)/t19-,20-,21+,22+,23+,24-,25-,26+,27+,31+,32+/m0/s1
InChIKey XFENGRLEXFEMMP-XQOJDCRESA-N
SMILES S(CC[C@@H]1OC(=O)C[C@H](OC)[C@@H]([C@@H]2O[C@@](O)([C@@](O)(C)[C@@H](C2)OC)C[C@H]([C@@H]([C@H](OC([C@H](NC1=O)CC(C)C)=O)CCC)C)O)C)C
Metabolite of Species Details
Roseofilum reptotaenium (NCBI:txid1233427) See: PubMed
Roles Classification
Chemical Role(s): Bronsted base
A molecular entity capable of accepting a hydron from a donor (Bronsted acid).
(via organic amino compound )
View more via ChEBI Ontology
ChEBI Ontology
Outgoing Looekeyolide A (CHEBI:222842) 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-methylsulanylethyl)-13-propyl-6,12,21-trioxa-9-azabicyclo[15.3.1]henicosane-5,8,11-trione
Manual Xref Database
71115993 ChemSpider
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