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CHEBI:225023 - Muracein B

ChEBI IDCHEBI:225023
ChEBI NameMuracein B
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC32H54N8O16
Net Charge0
Average Mass806.824
Monoisotopic Mass806.36578
SMILESCC(=O)N[C@@H]1[C@@H](OC(C)C(=O)N[C@@H](C)C(=O)N(C(=O)[C@@H](C)NC(=O)C(N)CCC(C(=O)CC[C@H](N)C(=O)O)C(N)C(N)=O)[C@H](C)C(=O)O)[C@H](O)[C@@H](CO)O[C@@H]1O
InChIInChI=1S/C32H54N8O16/c1-11(37-26(46)14(4)55-24-22(39-15(5)42)32(54)56-20(10-41)23(24)44)28(48)40(13(3)30(50)51)29(49)12(2)38-27(47)17(33)7-6-16(21(35)25(36)45)19(43)9-8-18(34)31(52)53/h11-14,16-18,20-24,32,41,44,54H,6-10,33-35H2,1-5H3,(H2,36,45)(H,37,46)(H,38,47)(H,39,42)(H,50,51)(H,52,53)/t11-,12+,13+,14?,16?,17?,18-,20+,21?,22+,23+,24+,32-/m0/s1
InChIKeyQHRDRNITQKNXNS-JGYLIOAXSA-N
Species of MetaboliteComponentSourceComments
Nocardia (ncbitaxon:1817) - PubMed (6327590)
Roles Classification
Chemical Role:
Bronsted base  A molecular entity capable of accepting a hydron from a donor (Brønsted acid).
ChEBI Ontology
Outgoing Relation(s)
Muracein B (CHEBI:225023) is a dipeptide (CHEBI:46761)
IUPAC Name 
(2S)-10-[[(2R)-1-[[(2S)-2-[2-[(2S,3R,4R,5S,6R)-3-acetamido-2,5-dihydroxy-6-(hydroxymethyl)oxan-4-yl]oxypropanoylamino]propanoyl]-[(1R)-1-carboxyethyl]amino]-1-oxopropan-2-yl]amino]-2,9-diamino-6-(1,2-diamino-2-oxoethyl)-5,10-dioxodecanoic acid
Manual XrefsDatabases
4590447ChemSpider