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CHEBI:221530 - Spumigin 640

ChEBI IDCHEBI:221530
ChEBI NameSpumigin 640
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SubmitterMetaboLights
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FormulaC32H44N6O8
Net Charge0
Average Mass640.738
Monoisotopic Mass640.32206
SMILESCC(=O)OC(Cc1ccc(O)cc1)C(=O)NC(CCc1ccc(O)cc1)C(=O)N1CCCC1C(=O)NC(CO)CCCN=C(N)N
InChIInChI=1S/C32H44N6O8/c1-20(40)46-28(18-22-8-13-25(42)14-9-22)30(44)37-26(15-10-21-6-11-24(41)12-7-21)31(45)38-17-3-5-27(38)29(43)36-23(19-39)4-2-16-35-32(33)34/h6-9,11-14,23,26-28,39,41-42H,2-5,10,15-19H2,1H3,(H,36,43)(H,37,44)(H4,33,34,35)
InChIKeyOKCXALXIVQJLMA-UHFFFAOYSA-N
Species of MetaboliteComponentSourceComments
Nodulariaspeciesmigena (ncbitaxon:70799) - PubMed (27834904)
Roles Classification
Chemical Role:
Bronsted acid  A molecular entity capable of donating a hydron to an acceptor (Brønsted base).
ChEBI Ontology
Outgoing Relation(s)
Spumigin 640 (CHEBI:221530) is a N-acyl-amino acid (CHEBI:51569)
IUPAC Name 
[1-[[1-[2-[[5-(diaminomethylideneamino)-1-hydroxypentan-2-yl]carbamoyl]pyrrolidin-1-yl]-4-(4-hydroxyphenyl)-1-oxobutan-2-yl]amino]-3-(4-hydroxyphenyl)-1-oxopropan-2-yl] acetate