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CHEBI:215178 - Muraymycin B7

ChEBI IDCHEBI:215178
ChEBI NameMuraymycin B7
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC45H75N11O18
Net Charge0
Average Mass1058.154
Monoisotopic Mass1057.52915
SMILESCC(C)CCCCC(=O)O[C@@H](C(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]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
InChIInChI=1S/C45H75N11O18/c1-19(2)10-7-8-11-25(58)72-34(21(5)6)28(53-38(64)27(22-12-16-50-43(47)51-22)55-44(69)54-26(20(3)4)40(65)66)37(63)49-15-9-14-48-29(41(67)68)35(74-42-33(62)30(59)23(18-46)71-42)36-31(60)32(61)39(73-36)56-17-13-24(57)52-45(56)70/h13,17,19-23,26-36,39,42,48,59-62H,7-12,14-16,18,46H2,1-6H3,(H,49,63)(H,53,64)(H,65,66)(H,67,68)(H3,47,50,51)(H,52,57,70)(H2,54,55,69)/t22-,23+,26-,27-,28-,29-,30+,31-,32+,33+,34-,35-,36-,39+,42-/m0/s1
InChIKeyOTMLIKBHITUZTR-JHJQITOJSA-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 B7 (CHEBI:215178) 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]-4-methyl-3-(6-methylheptanoyloxy)-1-oxopentan-2-yl]amino]-1-[(6S)-2-amino-1,4,5,6-tetrahydropyrimidin-6-yl]-2-oxoethyl]carbamoylamino]-3-methylbutanoic acid
Manual XrefsDatabases
78442641ChemSpider