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CHEBI:224486 - Muraymycin B4

ChEBI IDCHEBI:224486
ChEBI NameMuraymycin B4
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC47H79N11O18
Net Charge0
Average Mass1086.208
Monoisotopic Mass1085.56045
SMILESCO[C@H]1[C@H](O[C@H]([C@H]2O[C@@H](n3ccc(=O)nc3=O)[C@H](O)[C@@H]2O)[C@H](NCCCNC(=O)[C@@H](NC(=O)[C@@H](NC(=O)N[C@H](C(=O)O)C(C)C)[C@@H]2CCN=C(N)N2)[C@@H](OC(=O)CCCCCC(C)C)C(C)C)C(=O)O)O[C@H](CN)[C@H]1O
InChIInChI=1S/C47H79N11O18/c1-21(2)12-9-8-10-13-27(60)74-35(23(5)6)30(55-40(65)29(24-14-18-52-45(49)53-24)57-46(70)56-28(22(3)4)42(66)67)39(64)51-17-11-16-50-31(43(68)69)36(76-44-38(72-7)32(61)25(20-48)73-44)37-33(62)34(63)41(75-37)58-19-15-26(59)54-47(58)71/h15,19,21-25,28-38,41,44,50,61-63H,8-14,16-18,20,48H2,1-7H3,(H,51,64)(H,55,65)(H,66,67)(H,68,69)(H3,49,52,53)(H,54,59,71)(H2,56,57,70)/t24-,25+,28-,29-,30-,31-,32+,33-,34+,35-,36-,37-,38+,41+,44-/m0/s1
InChIKeyRGWUCUXNSQFHNH-XOCXMJSNSA-N
Species of MetaboliteComponentSourceComments
Streptomycesspecies (ncbitaxon:1931) - PubMed (12197711)
Roles Classification
Chemical Role:
Bronsted base  A molecular entity capable of accepting a hydron from a donor (Brønsted acid).
ChEBI Ontology
Outgoing Relation(s)
Muraymycin B4 (CHEBI:224486) is a dipeptide (CHEBI:46761)
IUPAC Name 
(2S)-2-[[(1S)-2-[[(2S,3S)-1-[3-[[(1S,2S)-2-[(2S,3R,4R,5R)-5-(aminomethyl)-4-hydroxy-3-methoxyoxolan-2-yl]oxy-1-carboxy-2-[(2S,3S,4R,5R)-5-(2,4-dioxopyrimidin-1-yl)-3,4-dihydroxyoxolan-2-yl]ethyl]amino]propylamino]-4-methyl-3-(7-methyloctanoyloxy)-1-oxopentan-2-yl]amino]-1-[(6S)-2-amino-1,4,5,6-tetrahydropyrimidin-6-yl]-2-oxoethyl]carbamoylamino]-3-methylbutanoic acid
Manual XrefsDatabases
78442674ChemSpider