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CHEBI:221996 - Nocuolactylate C

ChEBI IDCHEBI:221996
ChEBI NameNocuolactylate C
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC31H54N2O6
Net Charge0
Average Mass550.781
Monoisotopic Mass550.39819
SMILESCCCCCCCC/C=C/CC(=O)O[C@@H](C)C(=O)OCCC(=O)N1N=C(CCCCC)C[C@@H](CCCCC)O1
InChIInChI=1S/C31H54N2O6/c1-5-8-11-12-13-14-15-16-19-22-30(35)38-26(4)31(36)37-24-23-29(34)33-32-27(20-17-9-6-2)25-28(39-33)21-18-10-7-3/h16,19,26,28H,5-15,17-18,20-25H2,1-4H3/b19-16+/t26-,28+/m0/s1
InChIKeyDPCLMFFAHQYQQZ-UQFUQSBQSA-N
Species of MetaboliteComponentSourceComments
Nodulariaspecies LEGE 06071 (ncbitaxon:2777965) - PubMed (33599093)
ChEBI Ontology
Outgoing Relation(s)
Nocuolactylate C (CHEBI:221996) is a fatty acid ester (CHEBI:35748)
IUPAC Name 
[(2S)-1-[3-[(6R)-4,6-dipentyl-5,6-dihydrooxadiazin-2-yl]-3-oxopropoxy]-1-oxopropan-2-yl] (E)-dodec-3-enoate