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CHEBI:213377 - Bosamycin E

ChEBI IDCHEBI:213377
ChEBI NameBosamycin E
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC52H69N9O20
Net Charge0
Average Mass1140.167
Monoisotopic Mass1139.46589
SMILESCOC(=O)CNC(=O)[C@H](CC(C)C)NC(=O)[C@@H](Cc1ccc(O)cc1OC)NC(=O)[C@H](CO)NC(=O)[C@@H](NC(=O)[C@H](CC(C)C)NC(=O)[C@@H](Cc1ccc(O)cc1)NC(=O)[C@H](Cc1ccc(O)cc1)NC(=O)NC(=O)O)[C@@H](O)C(=O)O
InChIInChI=1S/C52H69N9O20/c1-25(2)17-33(43(68)53-23-40(66)81-6)54-46(71)37(21-29-11-16-32(65)22-39(29)80-5)57-48(73)38(24-62)58-49(74)41(42(67)50(75)76)60-47(72)34(18-26(3)4)55-44(69)35(19-27-7-12-30(63)13-8-27)56-45(70)36(59-51(77)61-52(78)79)20-28-9-14-31(64)15-10-28/h7-16,22,25-26,33-38,41-42,62-65,67H,17-21,23-24H2,1-6H3,(H,53,68)(H,54,71)(H,55,69)(H,56,70)(H,57,73)(H,58,74)(H,60,72)(H,75,76)(H,78,79)(H2,59,61,77)/t33-,34-,35+,36-,37+,38-,41-,42+/m0/s1
InChIKeyGHIFHRIFHRJZNG-WPFDVLOYSA-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 E (CHEBI:213377) is a oligopeptide (CHEBI:25676)
IUPAC Name 
(2R,3S)-3-[[(2S)-2-[[(2R)-2-[[(2S)-2-(carboxycarbamoylamino)-3-(4-hydroxyphenyl)propanoyl]amino]-3-(4-hydroxyphenyl)propanoyl]amino]-4-methylpentanoyl]amino]-2-hydroxy-4-[[(2S)-3-hydroxy-1-[[(2R)-3-(4-hydroxy-2-methoxyphenyl)-1-[[(2S)-1-[(2-methoxy-2-oxoethyl)amino]-4-methyl-1-oxopentan-2-yl]amino]-1-oxopropan-2-yl]amino]-1-oxopropan-2-yl]amino]-4-oxobutanoic acid