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CHEBI:222742 - Gramibactin B

ChEBI IDCHEBI:222742
ChEBI NameGramibactin B
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC32H56N10O17
Net Charge0
Average Mass852.853
Monoisotopic Mass852.38249
SMILESCCCCCCCC(=O)N[C@@H](C(=O)N[C@H](C(=O)N[C@@H](C(=O)N[C@H](CCC[N+]([O-])=NO)C(=O)NCC(=O)N[C@H](CCC[N+]([O-])=NO)C(=O)O)[C@@H](C)O)[C@@H](C)O)[C@@H](O)C(=O)O
InChIInChI=1S/C32H56N10O17/c1-4-5-6-7-8-13-21(45)36-25(26(47)32(54)55)30(51)38-24(18(3)44)29(50)37-23(17(2)43)28(49)35-19(11-9-14-41(58)39-56)27(48)33-16-22(46)34-20(31(52)53)12-10-15-42(59)40-57/h17-20,23-26,43-44,47,56-57H,4-16H2,1-3H3,(H,33,48)(H,34,46)(H,35,49)(H,36,45)(H,37,50)(H,38,51)(H,52,53)(H,54,55)/t17-,18-,19-,20-,23-,24+,25-,26-/m1/s1
InChIKeyDGRANLNYVKAJEA-DDAPDXDOSA-N
Species of MetaboliteComponentSourceComments
Trinickia caryophylli (ncbitaxon:28094) - PubMed (31605027)
Roles Classification
Chemical Role:
Bronsted base  A molecular entity capable of accepting a hydron from a donor (Brønsted acid).
ChEBI Ontology
Outgoing Relation(s)
Gramibactin B (CHEBI:222742) is a peptide (CHEBI:16670)
IUPAC Name 
[(4R)-4-carboxy-4-[[2-[[(2R)-2-[[(2R,3R)-2-[[(2S,3R)-2-[[(2R,3R)-3-carboxy-3-hydroxy-2-(octanoylamino)propanoyl]amino]-3-hydroxybutanoyl]amino]-3-hydroxybutanoyl]amino]-5-[hydroxyimino(oxido)azaniumyl]pentanoyl]amino]acetyl]amino]butyl]-hydroxyimino-oxidoazanium