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CHEBI:225050 - Muraymycin B2

ChEBI IDCHEBI:225050
ChEBI NameMuraymycin B2
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC48H81N11O18
Net Charge0
Average Mass1100.235
Monoisotopic Mass1099.57610
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)CCCCCCC(C)C)C(C)C)C(=O)O)O[C@H](CN)[C@H]1O
InChIInChI=1S/C48H81N11O18/c1-22(2)13-10-8-9-11-14-28(61)75-36(24(5)6)31(56-41(66)30(25-15-19-53-46(50)54-25)58-47(71)57-29(23(3)4)43(67)68)40(65)52-18-12-17-51-32(44(69)70)37(77-45-39(73-7)33(62)26(21-49)74-45)38-34(63)35(64)42(76-38)59-20-16-27(60)55-48(59)72/h16,20,22-26,29-39,42,45,51,62-64H,8-15,17-19,21,49H2,1-7H3,(H,52,65)(H,56,66)(H,67,68)(H,69,70)(H3,50,53,54)(H,55,60,72)(H2,57,58,71)/t25-,26+,29-,30-,31-,32-,33+,34-,35+,36-,37-,38-,39+,42+,45-/m0/s1
InChIKeyBLAVBWWNNRSHJN-UVJWUOELSA-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 B2 (CHEBI:225050) 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-(8-methylnonanoyloxy)-1-oxopentan-2-yl]amino]-1-[(6S)-2-amino-1,4,5,6-tetrahydropyrimidin-6-yl]-2-oxoethyl]carbamoylamino]-3-methylbutanoic acid
Manual XrefsDatabases
78442677ChemSpider