CHEBI:203362 - Muraymycin C1

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This entity has been annotated by a third party. If you would like more information added to this entry, please contact ChEBI via email or GitHub.
ChEBI Name Muraymycin C1
ChEBI ID CHEBI:203362
Stars This entity has been manually annotated by a third party.
Submitter MetaboLights
Supplier Information
Download Molfile XML SDF
Formula C38H63N11O17
Net Charge 0
Average Mass 945.982
Monoisotopic Mass 945.44034
InChI InChI=1S/C38H63N11O17/c1-14(2)19(33(57)58)47-37(61)48-20(16-7-11-43-36(40)44-16)31(56)46-21(23(51)15(3)4)30(55)42-10-6-9-41-22(34(59)60)27(66-35-29(63-5)24(52)17(13-39)64-35)28-25(53)26(54)32(65-28)49-12-8-18(50)45-38(49)62/h8,12,14-17,19-29,32,35,41,51-54H,6-7,9-11,13,39H2,1-5H3,(H,42,55)(H,46,56)(H,57,58)(H,59,60)(H3,40,43,44)(H,45,50,62)(H2,47,48,61)/t16-,17+,19-,20-,21-,22-,23-,24+,25-,26+,27-,28-,29+,32+,35-/m0/s1
InChIKey GOFOFDWFFIGTML-IZAYEQDHSA-N
SMILES O=C1N(C=CC(N1)=O)[C@@H]2O[C@H]([C@@H](O[C@@H]3O[C@H](CN)[C@H]([C@H]3OC)O)[C@H](NCCCNC(=O)[C@@H](NC(=O)[C@@H](NC(=O)N[C@H](C(=O)O)C(C)C)[C@H]4NC(=NCC4)N)[C@@H](O)C(C)C)C(=O)O)[C@H]([C@H]2O)O
Metabolite of Species Details
Streptomycesspecies (NCBI:txid1931) See: PubMed
Roles Classification
Chemical Role(s): Bronsted base
A molecular entity capable of accepting a hydron from a donor (Bronsted acid).
(via organic amino compound )
View more via ChEBI Ontology
ChEBI Ontology
Outgoing Muraymycin C1 (CHEBI:203362) is a dipeptide (CHEBI:46761)
IUPAC Name
(2S)-2-[[(1S)-2-[[(2S,3S)-1-[3-[[(1S,2S)-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-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 Xref Database
78442568 ChemSpider
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