EMBL-EBI | Chemical Biology | ChEBI

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

CHEBI:219863 - Serobactin A

ChEBI IDCHEBI:219863
ChEBI NameSerobactin A
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC33H55N7O17
Net Charge0
Average Mass821.835
Monoisotopic Mass821.36544
SMILESCCCCCCCCCC(=O)NC(C(=O)N[C@@H](CO)C(=O)NC(C(=O)N[C@@H](C(=O)N[C@@H](CO)C(=O)N[C@H]1CCCN(O)C1=O)[C@H](C)O)C(O)C(=O)O)C(O)C(=O)O
InChIInChI=1S/C33H55N7O17/c1-3-4-5-6-7-8-9-12-20(44)37-22(24(45)32(53)54)29(50)36-19(15-42)27(48)39-23(25(46)33(55)56)30(51)38-21(16(2)43)28(49)35-18(14-41)26(47)34-17-11-10-13-40(57)31(17)52/h16-19,21-25,41-43,45-46,57H,3-15H2,1-2H3,(H,34,47)(H,35,49)(H,36,50)(H,37,44)(H,38,51)(H,39,48)(H,53,54)(H,55,56)/t16-,17-,18-,19-,21+,22?,23?,24?,25?/m0/s1
InChIKeyUQVQVNBATHXZKG-ZRMVRKGCSA-N
Species of MetaboliteComponentSourceComments
Herbaspirillum (ncbitaxon:963) - PubMed (23320867)
Roles Classification
Chemical Role:
Bronsted base  A molecular entity capable of accepting a hydron from a donor (Brønsted acid).
ChEBI Ontology
Outgoing Relation(s)
Serobactin A (CHEBI:219863) is a peptide (CHEBI:16670)
IUPAC Name 
4-[[(2S)-1-[[1-carboxy-1-hydroxy-3-[[(2R,3S)-3-hydroxy-1-[[(2S)-3-hydroxy-1-[[(3S)-1-hydroxy-2-oxopiperidin-3-yl]amino]-1-oxopropan-2-yl]amino]-1-oxobutan-2-yl]amino]-3-oxopropan-2-yl]amino]-3-hydroxy-1-oxopropan-2-yl]amino]-3-(decanoylamino)-2-hydroxy-4-oxobutanoic acid
Manual XrefsDatabases
78445708ChemSpider