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CHEBI:215823 - Muraymycin D3

ChEBI IDCHEBI:215823
ChEBI NameMuraymycin D3
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC37H61N11O15
Net Charge0
Average Mass899.957
Monoisotopic Mass899.43486
SMILESCC(C)C[C@H](NC(=O)[C@@H](NC(=O)N[C@H](C(=O)O)C(C)C)[C@@H]1CCN=C(N)N1)C(=O)NCCCN[C@H](C(=O)O)[C@H](O[C@H]1C[C@H](O)[C@@H](CN)O1)[C@H]1O[C@@H](n2ccc(=O)nc2=O)[C@H](O)[C@@H]1O
InChIInChI=1S/C37H61N11O15/c1-15(2)12-18(43-31(54)24(17-6-10-42-35(39)44-17)47-36(59)46-23(16(3)4)33(55)56)30(53)41-9-5-8-40-25(34(57)58)28(62-22-13-19(49)20(14-38)61-22)29-26(51)27(52)32(63-29)48-11-7-21(50)45-37(48)60/h7,11,15-20,22-29,32,40,49,51-52H,5-6,8-10,12-14,38H2,1-4H3,(H,41,53)(H,43,54)(H,55,56)(H,57,58)(H3,39,42,44)(H,45,50,60)(H2,46,47,59)/t17-,18-,19-,20+,22-,23-,24-,25-,26-,27+,28-,29-,32+/m0/s1
InChIKeyIVLFLKUPTOOXBS-HEGRHRSOSA-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 D3 (CHEBI:215823) is a dipeptide (CHEBI:46761)
IUPAC Name 
(2S)-2-[[(1S)-2-[[(2S)-1-[3-[[(1S,2S)-2-[(2S,4S,5R)-5-(aminomethyl)-4-hydroxyoxolan-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-1-oxopentan-2-yl]amino]-1-[(6S)-2-amino-1,4,5,6-tetrahydropyrimidin-6-yl]-2-oxoethyl]carbamoylamino]-3-methylbutanoic acid
Manual XrefsDatabases
78442643ChemSpider