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CHEBI:221587 - Spumigin M

ChEBI IDCHEBI:221587
ChEBI NameSpumigin M
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC30H40N6O7
Net Charge0
Average Mass596.685
Monoisotopic Mass596.29585
SMILESN=C(N)N1CCC[C@@H](NC(=O)[C@@H]2CCCN2C(=O)[C@@H](Cc2ccc(O)cc2)NC(=O)C(O)CCc2ccc(O)cc2)C1O
InChIInChI=1S/C30H40N6O7/c31-30(32)36-16-1-3-22(28(36)42)33-26(40)24-4-2-15-35(24)29(43)23(17-19-7-12-21(38)13-8-19)34-27(41)25(39)14-9-18-5-10-20(37)11-6-18/h5-8,10-13,22-25,28,37-39,42H,1-4,9,14-17H2,(H3,31,32)(H,33,40)(H,34,41)/t22-,23-,24+,25?,28?/m1/s1
InChIKeyQXBUDVOMMRXMPC-NESQBPDXSA-N
Species of MetaboliteComponentSourceComments
Sphaerospermopsis torques-reginae ITEP-024 (ncbitaxon:984208) - PubMed (28876933)
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 M (CHEBI:221587) is a N-acyl-amino acid (CHEBI:51569)
IUPAC Name 
(2S)-N-[(3R)-1-carbamimidoyl-2-hydroxypiperidin-3-yl]-1-[(2R)-2-[[2-hydroxy-4-(4-hydroxyphenyl)butanoyl]amino]-3-(4-hydroxyphenyl)propanoyl]pyrrolidine-2-carboxamide