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CHEBI:221562 - Spumigin 574

ChEBI IDCHEBI:221562
ChEBI NameSpumigin 574
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC28H42N6O7
Net Charge0
Average Mass574.679
Monoisotopic Mass574.31150
SMILESCC(=O)OC(Cc1ccc(O)cc1)C(=O)NC(CC(C)C)C(=O)N1CCCC1C(=O)NC(C=O)CCCN=C(N)N
InChIInChI=1S/C28H42N6O7/c1-17(2)14-22(33-26(39)24(41-18(3)36)15-19-8-10-21(37)11-9-19)27(40)34-13-5-7-23(34)25(38)32-20(16-35)6-4-12-31-28(29)30/h8-11,16-17,20,22-24,37H,4-7,12-15H2,1-3H3,(H,32,38)(H,33,39)(H4,29,30,31)
InChIKeyHFULWQRAZWFHBF-UHFFFAOYSA-N
Species of MetaboliteComponentSourceComments
Nodulariaspeciesmigena (ncbitaxon:70799) - PubMed (27834904)
ChEBI Ontology
Outgoing Relation(s)
Spumigin 574 (CHEBI:221562) is a leucine derivative (CHEBI:47003)
IUPAC Name 
[1-[[1-[2-[[5-(diaminomethylideneamino)-1-oxopentan-2-yl]carbamoyl]pyrrolidin-1-yl]-4-methyl-1-oxopentan-2-yl]amino]-3-(4-hydroxyphenyl)-1-oxopropan-2-yl] acetate