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CHEBI:224350 - Muraymycin C3

ChEBI IDCHEBI:224350
ChEBI NameMuraymycin C3
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC37H61N11O16
Net Charge0
Average Mass915.956
Monoisotopic Mass915.42977
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]1C[C@H](O)[C@@H](CN)O1)[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/C37H61N11O16/c1-14(2)21(33(56)57)46-36(60)47-22(16-6-10-42-35(39)43-16)31(55)45-23(25(51)15(3)4)30(54)41-9-5-8-40-24(34(58)59)28(63-20-12-17(49)18(13-38)62-20)29-26(52)27(53)32(64-29)48-11-7-19(50)44-37(48)61/h7,11,14-18,20-29,32,40,49,51-53H,5-6,8-10,12-13,38H2,1-4H3,(H,41,54)(H,45,55)(H,56,57)(H,58,59)(H3,39,42,43)(H,44,50,61)(H2,46,47,60)/t16-,17-,18+,20-,21-,22-,23-,24-,25-,26-,27+,28-,29-,32+/m0/s1
InChIKeyHPUSNUZVHJNLRH-KBRLUSQLSA-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 C3 (CHEBI:224350) is a dipeptide (CHEBI:46761)
IUPAC Name 
(2S)-2-[[(1S)-2-[[(2S,3S)-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]-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
78442673ChemSpider