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CHEBI:213363 - Bosamycin C

ChEBI IDCHEBI:213363
ChEBI NameBosamycin C
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC51H67N9O20
Net Charge0
Average Mass1126.140
Monoisotopic Mass1125.45024
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(=O)NC(=O)O)[C@@H](O)C(=O)O)C(=O)N[C@@H](CC(C)C)C(=O)NCC(=O)O
InChIInChI=1S/C51H67N9O20/c1-24(2)16-32(42(68)52-22-39(65)66)53-45(71)36(20-28-10-15-31(64)21-38(28)80-5)56-47(73)37(23-61)57-48(74)40(41(67)49(75)76)59-46(72)33(17-25(3)4)54-43(69)34(18-26-6-11-29(62)12-7-26)55-44(70)35(58-50(77)60-51(78)79)19-27-8-13-30(63)14-9-27/h6-15,21,24-25,32-37,40-41,61-64,67H,16-20,22-23H2,1-5H3,(H,52,68)(H,53,71)(H,54,69)(H,55,70)(H,56,73)(H,57,74)(H,59,72)(H,65,66)(H,75,76)(H,78,79)(H2,58,60,77)/t32-,33-,34+,35-,36+,37-,40-,41+/m0/s1
InChIKeySNVWXEJGAFYERY-VSGXLYRTSA-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 C (CHEBI:213363) 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]-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