CHEBI:215823 - Muraymycin D3

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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 D3
ChEBI ID CHEBI:215823
Stars This entity has been manually annotated by a third party.
Submitter MetaboLights
Supplier Information
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Formula C37H61N11O15
Net Charge 0
Average Mass 899.957
Monoisotopic Mass 899.43486
InChI InChI=1S/C37H61N11O15/c1-15(2)12-18(43-31(54)24(17-6-10-42-35(39)44-17)47-36(59)46-23(16(3)4)33(55)56)30(53)41-9-5-8-40-25(34(57)58)28(62-22-13-19(49)20(14-38)61-22)29-26(51)27(52)32(63-29)48-11-7-21(50)45-37(48)60/h7,11,15-20,22-29,32,40,49,51-52H,5-6,8-10,12-14,38H2,1-4H3,(H,41,53)(H,43,54)(H,55,56)(H,57,58)(H3,39,42,44)(H,45,50,60)(H2,46,47,59)/t17-,18-,19-,20+,22-,23-,24-,25-,26-,27+,28-,29-,32+/m0/s1
InChIKey IVLFLKUPTOOXBS-HEGRHRSOSA-N
SMILES O=C1N(C=CC(N1)=O)[C@@H]2O[C@H]([C@@H](O[C@@H]3O[C@H](CN)[C@H](C3)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)CC(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 D3 (CHEBI:215823) is a dipeptide (CHEBI:46761)
IUPAC Name
(2S)-2-[[(1S)-2-[[(2S)-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]-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
78442643 ChemSpider
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