CHEBI:9414 - Tautomycin

Main ChEBI Ontology Automatic Xrefs Reactions Pathways Models
ChEBI Name Tautomycin
ChEBI ID CHEBI:9414
Stars This entity has been manually annotated by a third party.
Supplier Information
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Formula C41H66O13
Net Charge 0
Average Mass 766.957
Monoisotopic Mass 766.450
InChI InChI=1S/C41H66O13/c1-21(2)36(51-34(47)20-31(45)35-27(8)39(48)52-40(35)49)38(50-10)32(46)19-30(44)26(7)29(43)13-11-24(5)37-25(6)16-18-41(54-37)17-15-23(4)33(53-41)14-12-22(3)28(9)42/h21-26,29,31-33,36-38,43,45-46H,11-20H2,1-10H3/t22-,23+,24+,25-,26-,29-,31+,32+,33-,36+,37-,38+,41+/m0/s1
InChIKey RFCWHQNNCOJYTR-IRCAEPKSSA-N
SMILES CO[C@H]([C@H](O)CC(=O)[C@@H](C)[C@@H](O)CC[C@@H](C)[C@@H]1O[C@]2(CC[C@@H](C)[C@H](CC[C@H](C)C(C)=O)O2)CC[C@@H]1C)[C@H](OC(=O)C[C@@H](O)C1=C(C)C(=O)OC1=O)C(C)C
ChEBI Ontology
Outgoing Tautomycin (CHEBI:9414) is a carboxylic ester (CHEBI:33308)
Synonym Source
Tautomycin KEGG COMPOUND
Manual Xrefs Databases
C00017872 KNApSAcK
C05372 KEGG COMPOUND
View more database links
Registry Number Type Source
109946-35-2 CAS Registry Number KEGG COMPOUND
Last Modified
28 July 2014