CHEBI:217635 - Liposidomycin-C-(I)

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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-C-(I)
ChEBI ID CHEBI:217635
Stars This entity has been manually annotated by a third party.
Submitter MetaboLights
Supplier Information
Download Molfile XML SDF
Formula C42H67N5O21S
Net Charge 0
Average Mass 1010.070
Monoisotopic Mass 1009.40493
InChI InChI=1S/C42H67N5O21S/c1-5-6-7-8-9-10-11-12-13-14-23(63-28(51)18-22(2)17-27(49)50)19-29(52)64-25-21-45(3)31(38(56)46(4)30(25)40(57)58)35(67-41-37(68-69(60,61)62)32(53)24(20-43)65-41)36-33(54)34(55)39(66-36)47-16-15-26(48)44-42(47)59/h15-16,22-25,30-37,39,41,53-55H,5-14,17-21,43H2,1-4H3,(H,49,50)(H,57,58)(H,44,48,59)(H,60,61,62)
InChIKey NUIXFOOZWGAKIP-UHFFFAOYSA-N
SMILES S(=O)(=O)(OC1C(OC(C1O)CN)OC(C2N(CC(OC(=O)CC(OC(=O)CC(CC(=O)O)C)CCCCCCCCCCC)C(N(C2=O)C)C(=O)O)C)C3OC(N4C(=O)NC(=O)C=C4)C(C3O)O)O
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-C-(I) (CHEBI:217635) is a dipeptide (CHEBI:46761)
IUPAC Name
2-[[5-(aminomethyl)-4-hydroxy-3-sulooxyoxolan-2-yl]oxy-[5-(2,4-dioxopyrimidin-1-yl)-3,4-dihydroxyoxolan-2-yl]methyl]-6-[3-(4-carboxy-3-methylbutanoyl)oxytetradecanoyloxy]-1,4-dimethyl-3-oxo-1,4-diazepane-5-carboxylic acid
Manual Xref Database
8593962 ChemSpider
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