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CHEBI:213351 - Bosamycin A

ChEBI IDCHEBI:213351
ChEBI NameBosamycin A
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC40H57N7O15
Net Charge0
Average Mass875.930
Monoisotopic Mass875.39126
SMILESCOc1cc(O)ccc1C[C@@H](NC(=O)[C@H](CO)NC(=O)[C@@H](NC(=O)[C@H](CC(C)C)NC(=O)[C@H](N)Cc1ccc(O)cc1)[C@@H](O)C(=O)O)C(=O)N[C@@H](CC(C)C)C(=O)NCC(=O)O
InChIInChI=1S/C40H57N7O15/c1-19(2)12-26(35(55)42-17-31(51)52)44-36(56)28(15-22-8-11-24(50)16-30(22)62-5)45-38(58)29(18-48)46-39(59)32(33(53)40(60)61)47-37(57)27(13-20(3)4)43-34(54)25(41)14-21-6-9-23(49)10-7-21/h6-11,16,19-20,25-29,32-33,48-50,53H,12-15,17-18,41H2,1-5H3,(H,42,55)(H,43,54)(H,44,56)(H,45,58)(H,46,59)(H,47,57)(H,51,52)(H,60,61)/t25-,26+,27+,28-,29+,32+,33-/m1/s1
InChIKeyDMWWSICROMYZPA-QARSUBPGSA-N
Species of MetaboliteComponentSourceComments
Streptomyces (ncbitaxon:1883) - PubMed (34094195)
Roles Classification
Chemical Role:
Bronsted base  A molecular entity capable of accepting a hydron from a donor (Brønsted acid).
ChEBI Ontology
Outgoing Relation(s)
Bosamycin A (CHEBI:213351) is a oligopeptide (CHEBI:25676)
IUPAC Name 
(2R,3S)-3-[[(2S)-2-[[(2R)-2-amino-3-(4-hydroxyphenyl)propanoyl]amino]-4-methylpentanoyl]amino]-4-[[(2S)-1-[[(2R)-1-[[(2S)-1-(carboxymethylamino)-4-methyl-1-oxopentan-2-yl]amino]-3-(4-hydroxy-2-methoxyphenyl)-1-oxopropan-2-yl]amino]-3-hydroxy-1-oxopropan-2-yl]amino]-2-hydroxy-4-oxobutanoic acid