CHEBI:183815 - Narasin

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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 Narasin
ChEBI ID CHEBI:183815
Stars This entity has been manually annotated by a third party.
Submitter MetaboLights
Supplier Information
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Formula C43H72O11
Net Charge 0
Average Mass 765.038
Monoisotopic Mass 764.50746
InChI InChI=1S/C43H72O11/c1-12-30(35(46)27(8)34(45)28(9)36-23(4)21-24(5)37(51-36)31(13-2)39(47)48)38-25(6)22-26(7)42(52-38)18-15-32(44)43(54-42)20-19-40(11,53-43)33-16-17-41(49,14-3)29(10)50-33/h15,18,23-34,36-38,44-45,49H,12-14,16-17,19-22H2,1-11H3,(H,47,48)/t23-,24-,25-,26+,27-,28-,29-,30-,31+,32+,33+,34+,36+,37+,38-,40-,41+,42-,43-/m0/s1
InChIKey VHKXXVVRRDYCIK-CWCPJSEDSA-N
SMILES O1[C@@](CC[C@@]12O[C@@]3(O[C@@]([C@H](C[C@H]3C)C)([C@H](C(=O)[C@H]([C@@H](O)[C@@H]([C@@]4(O[C@]([C@H](C[C@@H]4C)C)([C@@H](CC)C(O)=O)[H])[H])C)C)CC)[H])C=C[C@H]2O)([C@@]5(O[C@H]([C@](O)(CC5)CC)C)[H])C
Metabolite of Species Details
Mus musculus (NCBI:txid10090) Found in serum (BTO:0001239). of strain C57BL [EFO:0005181] See: MetaboLights Study
Kitasatospora aureofaciens (NCBI:txid1894) See: PubMed
ChEBI Ontology
Outgoing Narasin (CHEBI:183815) is a diterpene glycoside (CHEBI:71939)
IUPAC Names
(2R)-2-[(2R,3S,5S,6R)-6-[(2S,3S,4S,6R)-6-[(3S,5S,7R,9S,10S,12R,15R)-3-[(2R,5R,6S)-5-ethyl-5-hydroxy-6-methyloxan-2-yl]-15-hydroxy-3,10,12-trimethyl-4,6,8-trioxadispiro[4.1.57.35]pentadec-13-en-9-yl]-3-hydroxy-4-methyl-5-oxooctan-2-yl]-3,5-dimethyloxan-2-yl]butanoic acid
2-[(2R,3S,5S,6R)-6-[(2S,3S,4S,6R)-6-[(3S,5S,7R,10S,12R,15R)-3-[(2R,5R,6S)-5-ethyl-5-hydroxy-6-methyloxan-2-yl]-15-hydroxy-3,10,12-trimethyl-4,6,8-trioxadispiro[4.1.57.35]pentadec-13-en-9-yl]-3-hydroxy-4-methyl-5-oxooctan-2-yl]-3,5-dimethyloxan-2-yl]butanoic acid
Manual Xrefs Databases
31046971 ChemSpider
58911 ChemSpider
D05122 KEGG DRUG
DB11432 KEGG DRUG
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Registry Number Type Source
55134-13-9 CAS Registry Number ChemIDplus