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CHEBI:222436 - Bagougeramine B

ChEBI IDCHEBI:222436
ChEBI NameBagougeramine B
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC24H44N12O7
Net Charge0
Average Mass612.693
Monoisotopic Mass612.34559
SMILESCNCC(=O)N[C@H](CN=C(N)N)C(=O)N[C@H]1[C@H](O)[C@@H](O)[C@H](n2ccc(N)nc2=O)O[C@H]1C(=O)NCCCNCCCCN
InChIInChI=1S/C24H44N12O7/c1-29-12-15(37)33-13(11-32-23(27)28)20(40)35-16-17(38)18(39)22(36-10-5-14(26)34-24(36)42)43-19(16)21(41)31-9-4-8-30-7-3-2-6-25/h5,10,13,16-19,22,29-30,38-39H,2-4,6-9,11-12,25H2,1H3,(H,31,41)(H,33,37)(H,35,40)(H2,26,34,42)(H4,27,28,32)/t13-,16+,17+,18-,19-,22-/m1/s1
InChIKeyLCASODQCASDDLN-MBVCZAKJSA-N
Species of MetaboliteComponentSourceComments
Bacillus (ncbitaxon:1386) - PubMed (3759654)
Roles Classification
Chemical Role:
Bronsted base  A molecular entity capable of accepting a hydron from a donor (Brønsted acid).
ChEBI Ontology
Outgoing Relation(s)
Bagougeramine B (CHEBI:222436) is a peptide (CHEBI:16670)
IUPAC Name 
(2R,3S,4S,5R,6R)-N-[3-(4-aminobutylamino)propyl]-6-(4-amino-2-oxopyrimidin-1-yl)-3-[[(2R)-3-(diaminomethylideneamino)-2-[[2-(methylamino)acetyl]amino]propanoyl]amino]-4,5-dihydroxyoxane-2-carboxamide
Manual XrefsDatabases
78443009ChemSpider