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CHEBI:207491 - Muraymycin A4

ChEBI IDCHEBI:207491
ChEBI NameMuraymycin A4
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC51H88N14O19
Net Charge0
Average Mass1201.344
Monoisotopic Mass1200.63502
SMILESCC(C)[C@H](NC(=O)N[C@H](C(=O)N[C@H](C(=O)NCCCN[C@H](C(=O)O)[C@H](O[C@@H]1O[C@H](CN)[C@@H](O)[C@H]1O)[C@H]1O[C@@H](n2ccc(=O)nc2=O)[C@H](O)[C@@H]1O)[C@@H](OC(=O)CCCCCCCCCCCCN(O)C(=N)N)C(C)C)[C@@H]1CCN=C(N)N1)C(=O)O
InChIInChI=1S/C51H88N14O19/c1-25(2)31(45(74)75)62-50(78)63-32(27-17-21-58-49(55)59-27)43(73)61-33(39(26(3)4)82-30(67)16-13-11-9-7-5-6-8-10-12-14-22-65(80)48(53)54)42(72)57-20-15-19-56-34(46(76)77)40(84-47-38(71)35(68)28(24-52)81-47)41-36(69)37(70)44(83-41)64-23-18-29(66)60-51(64)79/h18,23,25-28,31-41,44,47,56,68-71,80H,5-17,19-22,24,52H2,1-4H3,(H3,53,54)(H,57,72)(H,61,73)(H,74,75)(H,76,77)(H3,55,58,59)(H,60,66,79)(H2,62,63,78)/t27-,28+,31-,32-,33-,34-,35+,36-,37+,38+,39-,40-,41-,44+,47-/m0/s1
InChIKeyBOSNQDREPLRAKI-ICPQWDPRSA-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 A4 (CHEBI:207491) is a dipeptide (CHEBI:46761)
IUPAC Name 
(2S)-2-[[(1S)-2-[[(2S,3S)-1-[3-[[(1S,2S)-2-[(2S,3R,4S,5R)-5-(aminomethyl)-3,4-dihydroxyoxolan-2-yl]oxy-1-carboxy-2-[(2S,3S,4R,5R)-5-(2,4-dioxopyrimidin-1-yl)-3,4-dihydroxyoxolan-2-yl]ethyl]amino]propylamino]-3-[13-[carbamimidoyl(hydroxy)amino]tridecanoyloxy]-4-methyl-1-oxopentan-2-yl]amino]-1-[(6S)-2-amino-1,4,5,6-tetrahydropyrimidin-6-yl]-2-oxoethyl]carbamoylamino]-3-methylbutanoic acid
Manual XrefsDatabases
34500889ChemSpider