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CHEBI:213383 - Bosamycin F

ChEBI IDCHEBI:213383
ChEBI NameBosamycin F
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC52H70N8O18
Net Charge0
Average Mass1095.170
Monoisotopic Mass1094.48081
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(C)=O)[C@@H](O)C(=O)O
InChIInChI=1S/C52H70N8O18/c1-26(2)18-35(45(68)53-24-42(66)78-7)55-48(71)39(22-31-12-17-34(65)23-41(31)77-6)58-50(73)40(25-61)59-51(74)43(44(67)52(75)76)60-49(72)36(19-27(3)4)56-47(70)38(21-30-10-15-33(64)16-11-30)57-46(69)37(54-28(5)62)20-29-8-13-32(63)14-9-29/h8-17,23,26-27,35-40,43-44,61,63-65,67H,18-22,24-25H2,1-7H3,(H,53,68)(H,54,62)(H,55,71)(H,56,70)(H,57,69)(H,58,73)(H,59,74)(H,60,72)(H,75,76)/t35-,36-,37-,38+,39+,40-,43-,44+/m0/s1
InChIKeyNPPJWNRQILLJAC-ZRMUVTKZSA-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 F (CHEBI:213383) 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]-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