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CHEBI:220952 - Spumigin D

ChEBI IDCHEBI:220952
ChEBI NameSpumigin D
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SubmitterMetaboLights
DownloadsMolfile
FormulaC30H42N6O7
Net Charge0
Average Mass598.701
Monoisotopic Mass598.31150
SMILESNC(N)=NCCCC(CO)NC(=O)[C@@H]1CCCN1C(=O)[C@@H](CCc1ccc(O)cc1)NC(=O)[C@H](O)Cc1ccc(O)cc1
InChIInChI=1S/C30H42N6O7/c31-30(32)33-15-1-3-21(18-37)34-27(41)25-4-2-16-36(25)29(43)24(14-9-19-5-10-22(38)11-6-19)35-28(42)26(40)17-20-7-12-23(39)13-8-20/h5-8,10-13,21,24-26,37-40H,1-4,9,14-18H2,(H,34,41)(H,35,42)(H4,31,32,33)/t21?,24-,25+,26-/m1/s1
InChIKeyKRNLOYZRJLTDBI-TUJAQADMSA-N
Species of MetaboliteComponentSourceComments
Nodularia (ncbitaxon:159191) - PubMed (19691450)
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 D (CHEBI:220952) is a N-acyl-amino acid (CHEBI:51569)
IUPAC Name 
(2S)-N-[5-(diaminomethylideneamino)-1-hydroxypentan-2-yl]-1-[(2R)-2-[[(2R)-2-hydroxy-3-(4-hydroxyphenyl)propanoyl]amino]-4-(4-hydroxyphenyl)butanoyl]pyrrolidine-2-carboxamide
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