CHEBI:197888 - Liposidomycin X-(III)

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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 Liposidomycin X-(III)
ChEBI ID CHEBI:197888
Stars This entity has been manually annotated by a third party.
Submitter MetaboLights
Supplier Information
Download Molfile XML SDF
Formula C41H65N5O18
Net Charge 0
Average Mass 915.988
Monoisotopic Mass 915.43246
InChI InChI=1S/C41H65N5O18/c1-5-6-7-8-9-10-11-12-13-22(60-27(50)17-21(2)16-26(48)49)18-28(51)61-24-20-44(3)30(37(56)45(4)29(24)39(57)58)35(64-40-34(55)31(52)23(19-42)62-40)36-32(53)33(54)38(63-36)46-15-14-25(47)43-41(46)59/h14-15,21-24,29-36,38,40,52-55H,5-13,16-20,42H2,1-4H3,(H,48,49)(H,57,58)(H,43,47,59)
InChIKey VVLFISHNJLAURF-UHFFFAOYSA-N
SMILES O=C1N(C(C(=O)O)C(OC(=O)CC(OC(=O)CC(CC(=O)O)C)CCCCCCCCCC)CN(C1C(OC2OC(CN)C(C2O)O)C3OC(N4C(=O)NC(=O)C=C4)C(C3O)O)C)C
Metabolite of Species Details
Streptomycesspecies SN-1061M (NCBI:txid722721) 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 Liposidomycin X-(III) (CHEBI:197888) is a dipeptide (CHEBI:46761)
IUPAC Name
2-[[5-(aminomethyl)-3,4-dihydroxyoxolan-2-yl]oxy-[5-(2,4-dioxopyrimidin-1-yl)-3,4-dihydroxyoxolan-2-yl]methyl]-6-[3-(4-carboxy-3-methylbutanoyl)oxytridecanoyloxy]-1,4-dimethyl-3-oxo-1,4-diazepane-5-carboxylic acid
Manual Xref Database
78443863 ChemSpider
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