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CHEBI:224048 - Muraymycin A2

ChEBI IDCHEBI:224048
ChEBI NameMuraymycin A2
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC48H82N14O19
Net Charge0
Average Mass1159.263
Monoisotopic Mass1158.58807
SMILESCO[C@H]1[C@H](O[C@H](C(NCCCNC(=O)[C@@H](NC(=O)C(NC(=O)N[C@H](C(=O)O)C(C)C)C2CCN=C(N)N2)[C@@H](OC(=O)CCCCCCCCN(O)C(=N)N)C(C)C)C(=O)O)[C@H]2O[C@@H](n3ccc(=O)nc3=O)[C@H](O)[C@@H]2O)O[C@H](CN)[C@H]1O
InChIInChI=1S/C48H82N14O19/c1-22(2)28(42(70)71)59-47(74)60-29(24-14-18-55-46(52)56-24)40(69)58-30(35(23(3)4)79-27(64)13-10-8-6-7-9-11-19-62(76)45(50)51)39(68)54-17-12-16-53-31(43(72)73)36(81-44-38(77-5)32(65)25(21-49)78-44)37-33(66)34(67)41(80-37)61-20-15-26(63)57-48(61)75/h15,20,22-25,28-38,41,44,53,65-67,76H,6-14,16-19,21,49H2,1-5H3,(H3,50,51)(H,54,68)(H,58,69)(H,70,71)(H,72,73)(H3,52,55,56)(H,57,63,75)(H2,59,60,74)/t24?,25-,28+,29?,30+,31?,32-,33+,34-,35+,36-,37+,38-,41-,44+/m1/s1
InChIKeyNKJKSPSDTLFYLP-UOQVWMTISA-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 A2 (CHEBI:224048) is a dipeptide (CHEBI:46761)
IUPAC Name 
(2S)-2-[[2-[[(2S,3S)-1-[3-[[(2R)-2-[(2S,3R,4R,5R)-5-(aminomethyl)-4-hydroxy-3-methoxyoxolan-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-[9-[carbamimidoyl(hydroxy)amino]nonanoyloxy]-4-methyl-1-oxopentan-2-yl]amino]-1-(2-amino-1,4,5,6-tetrahydropyrimidin-6-yl)-2-oxoethyl]carbamoylamino]-3-methylbutanoic acid
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