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CHEBI:213370 - Bosamycin D

ChEBI IDCHEBI:213370
ChEBI NameBosamycin D
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC51H68N8O18
Net Charge0
Average Mass1081.143
Monoisotopic Mass1080.46516
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](Cc1ccc(O)cc1)NC(=O)[C@H](Cc1ccc(O)cc1)NC(C)=O)[C@@H](O)C(=O)O)C(=O)N[C@@H](CC(C)C)C(=O)NCC(=O)O
InChIInChI=1S/C51H68N8O18/c1-25(2)17-34(44(68)52-23-41(65)66)54-47(71)38(21-30-11-16-33(64)22-40(30)77-6)57-49(73)39(24-60)58-50(74)42(43(67)51(75)76)59-48(72)35(18-26(3)4)55-46(70)37(20-29-9-14-32(63)15-10-29)56-45(69)36(53-27(5)61)19-28-7-12-31(62)13-8-28/h7-16,22,25-26,34-39,42-43,60,62-64,67H,17-21,23-24H2,1-6H3,(H,52,68)(H,53,61)(H,54,71)(H,55,70)(H,56,69)(H,57,73)(H,58,74)(H,59,72)(H,65,66)(H,75,76)/t34-,35-,36-,37+,38+,39-,42-,43+/m0/s1
InChIKeyJYQBRRHPVQLUCY-ZJPHBKLHSA-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 D (CHEBI:213370) is a oligopeptide (CHEBI:25676)
IUPAC Name 
(2R,3S)-3-[[(2S)-2-[[(2R)-2-[[(2S)-2-acetamido-3-(4-hydroxyphenyl)propanoyl]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