EMBL-EBI | Chemical Biology | ChEBI

Example searches: iron*, InChI=1S/CH4O/c1-2/h2H,1H3, caffeine | Advanced Search

CHEBI:209794 - Spumigin C

ChEBI IDCHEBI:209794
ChEBI NameSpumigin C
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC30H40N6O8
Net Charge0
Average Mass612.684
Monoisotopic Mass612.29076
SMILESNC(N)=NCCCC(NC(=O)[C@@H]1CCCN1C(=O)[C@@H](CCc1ccc(O)cc1)NC(=O)[C@H](O)Cc1ccc(O)cc1)C(=O)O
InChIInChI=1S/C30H40N6O8/c31-30(32)33-15-1-3-23(29(43)44)35-26(40)24-4-2-16-36(24)28(42)22(14-9-18-5-10-20(37)11-6-18)34-27(41)25(39)17-19-7-12-21(38)13-8-19/h5-8,10-13,22-25,37-39H,1-4,9,14-17H2,(H,34,41)(H,35,40)(H,43,44)(H4,31,32,33)/t22-,23?,24+,25-/m1/s1
InChIKeyJCBBIZWYSLCGPJ-ZTRUVXPPSA-N
Species of MetaboliteComponentSourceComments
Nodulariaspeciesmigena AV1 (ncbitaxon:284707) - DOI (10.1016/s0040-4039(97)01192-1)
Roles Classification
Chemical Role:
Bronsted base  A molecular entity capable of accepting a hydron from a donor (Brønsted acid).
ChEBI Ontology
Outgoing Relation(s)
Spumigin C (CHEBI:209794) is a oligopeptide (CHEBI:25676)
IUPAC Name 
5-(diaminomethylideneamino)-2-[[(2S)-1-[(2R)-2-[[(2R)-2-hydroxy-3-(4-hydroxyphenyl)propanoyl]amino]-4-(4-hydroxyphenyl)butanoyl]pyrrolidine-2-carbonyl]amino]pentanoic acid
Manual XrefsDatabases
64868960ChemSpider