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CHEBI:202979 - Muraymycin C2

ChEBI IDCHEBI:202979
ChEBI NameMuraymycin C2
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC37H61N11O17
Net Charge0
Average Mass931.955
Monoisotopic Mass931.42469
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](O)C(C)C)[C@@H]1CCN=C(N)N1)C(=O)O
InChIInChI=1S/C37H61N11O17/c1-13(2)18(32(57)58)46-36(61)47-19(15-6-10-42-35(39)43-15)30(56)45-20(22(50)14(3)4)29(55)41-9-5-8-40-21(33(59)60)27(65-34-26(54)23(51)16(12-38)63-34)28-24(52)25(53)31(64-28)48-11-7-17(49)44-37(48)62/h7,11,13-16,18-28,31,34,40,50-54H,5-6,8-10,12,38H2,1-4H3,(H,41,55)(H,45,56)(H,57,58)(H,59,60)(H3,39,42,43)(H,44,49,62)(H2,46,47,61)/t15-,16+,18-,19-,20-,21-,22-,23+,24-,25+,26+,27-,28-,31+,34-/m0/s1
InChIKeyWTHATGYLBVSNGW-CEYGRZQJSA-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 C2 (CHEBI:202979) 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-hydroxy-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
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