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CHEBI:225028 - Muracein A

ChEBI IDCHEBI:225028
ChEBI NameMuracein A
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC26H44N6O14
Net Charge0
Average Mass664.666
Monoisotopic Mass664.29155
SMILESCC(=O)N[C@@H]1[C@@H](OC(C)C(=O)N[C@@H](C)C(=O)N[C@@H](CCC(=O)NC(CCC[C@@H](N)C(N)=O)C(=O)O)C(=O)O)[C@H](O)[C@@H](CO)O[C@@H]1O
InChIInChI=1S/C26H44N6O14/c1-10(29-23(39)11(2)45-20-18(30-12(3)34)26(44)46-16(9-33)19(20)36)22(38)32-15(25(42)43)7-8-17(35)31-14(24(40)41)6-4-5-13(27)21(28)37/h10-11,13-16,18-20,26,33,36,44H,4-9,27H2,1-3H3,(H2,28,37)(H,29,39)(H,30,34)(H,31,35)(H,32,38)(H,40,41)(H,42,43)/t10-,11?,13+,14?,15-,16+,18+,19+,20+,26-/m0/s1
InChIKeyNZFXQRHFBLVEQA-GXOSTJLWSA-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 A (CHEBI:225028) is a dipeptide (CHEBI:46761)
IUPAC Name 
(6R)-2-[[(4S)-4-[[(2S)-2-[2-[(2S,3R,4R,5S,6R)-3-acetamido-2,5-dihydroxy-6-(hydroxymethyl)oxan-4-yl]oxypropanoylamino]propanoyl]amino]-4-carboxybutanoyl]amino]-6,7-diamino-7-oxoheptanoic acid
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