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CHEBI:65643 - Clethramycin

ChEBI IDCHEBI:65643
ChEBI NameClethramycin
Stars
DefinitionA natural product found in Streptomyces hygroscopicus and Streptomyces mediocidicus.
Last Modified30 January 2019
DownloadsMolfile
FormulaC63H99N3O18S
Net Charge0
Average Mass1218.555
Monoisotopic Mass1217.66443
SMILESC/C(=C\C=C\C=C\CC/C=C/C(C)[C@H](O)[C@@H](C)[C@H](O)/C=C/C=C/C=C/C=C/C=C/C=C/CC(OS(=O)(=O)O)C(C)C(=O)C[C@@H](O)C[C@@H](O)/C=C/C[C@H](O)C[C@@H](O)C[C@H](O)/C=C/C[C@@H](O)C[C@H](O)/C=C/C[C@@H](O)C[C@@H](O)CCCNC(=N)N)C(=O)O
InChIInChI=1S/C63H99N3O18S/c1-45(27-19-15-11-10-12-16-20-28-46(2)62(79)80)61(78)48(4)58(76)36-21-17-13-8-6-5-7-9-14-18-22-37-60(84-85(81,82)83)47(3)59(77)44-57(75)43-54(72)34-25-33-53(71)42-56(74)41-52(70)32-24-31-50(68)39-49(67)29-23-30-51(69)40-55(73)35-26-38-66-63(64)65/h5-10,12-14,16-25,27-29,32,34,36,45,47-58,60-61,67-76,78H,11,15,26,30-31,33,35,37-44H2,1-4H3,(H,79,80)(H4,64,65,66)(H,81,82,83)/b7-5+,8-6+,12-10+,14-9+,17-13+,20-16+,22-18+,27-19+,29-23+,32-24+,34-25+,36-21+,46-28+/t45?,47?,48-,49+,50+,51+,52+,53-,54-,55-,56-,57-,58+,60?,61-/m0/s1
InChIKeyOQRILZSNZMAVTK-OLZSDPFHSA-N
Species of MetaboliteComponentSourceComments
Streptomyces hygroscopicus (ncbitaxon:1912) - PubMed (14563159) syn/anti relative stereochemistry Strain: TP A0623
Streptomyces mediocidicus (ncbitaxon:58352) - PubMed (17315962) syn/anti relative stereochemistry Strain: ATCC23936
Roles Classification
Chemical Role:
Bronsted acid  A molecular entity capable of donating a hydron to an acceptor (Brønsted base).
Biological Role:
metabolite  Any intermediate or product resulting from metabolism. The term 'metabolite' subsumes the classes commonly known as primary and secondary metabolites.
ChEBI Ontology
Outgoing Relation(s)
Clethramycin (CHEBI:65643) has role metabolite (CHEBI:25212)
Clethramycin (CHEBI:65643) is a ultra-long-chain fatty acid (CHEBI:143004)
Synonym  Source
58-carbamimidamido-13,15,33,35,39,41,43,47,49,53,55-undecahydroxy-2,12,14,30-tetramethyl-31-oxo-29-(sulfooxy)octapentaconta-2,4,6,10,16,18,20,22,24,26,36,44,50-tridecaenoic acidChEBI
Citations