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CHEBI:213357 - Bosamycin B

ChEBI IDCHEBI:213357
ChEBI NameBosamycin B
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SubmitterMetaboLights
DownloadsMolfile
FormulaC50H67N9O18
Net Charge0
Average Mass1082.131
Monoisotopic Mass1081.46041
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(N)=O)[C@@H](O)C(=O)O)C(=O)N[C@@H](CC(C)C)C(=O)NCC(=O)O
InChIInChI=1S/C50H67N9O18/c1-24(2)16-32(42(67)52-22-39(64)65)53-45(70)36(20-28-10-15-31(63)21-38(28)77-5)56-47(72)37(23-60)57-48(73)40(41(66)49(74)75)59-46(71)33(17-25(3)4)54-43(68)34(18-26-6-11-29(61)12-7-26)55-44(69)35(58-50(51)76)19-27-8-13-30(62)14-9-27/h6-15,21,24-25,32-37,40-41,60-63,66H,16-20,22-23H2,1-5H3,(H,52,67)(H,53,70)(H,54,68)(H,55,69)(H,56,72)(H,57,73)(H,59,71)(H,64,65)(H,74,75)(H3,51,58,76)/t32-,33-,34+,35-,36+,37-,40-,41+/m0/s1
InChIKeyVMWFRCGSDCBPRJ-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 B (CHEBI:213357) is a oligopeptide (CHEBI:25676)
IUPAC Name 
(2R,3S)-3-[[(2S)-2-[[(2R)-2-[[(2S)-2-(carbamoylamino)-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