CHEBI:201539 - Monazomycin

Main ChEBI Ontology Automatic Xrefs Reactions Pathways Models
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 Monazomycin
ChEBI ID CHEBI:201539
Stars This entity has been manually annotated by a third party.
Submitter MetaboLights
Supplier Information
Download Molfile XML SDF
Formula C72H133NO22
Net Charge 0
Average Mass 1364.841
Monoisotopic Mass 1363.93192
InChI InChI=1S/C72H133NO22/c1-39-22-19-20-25-55(79)46(8)54(78)24-17-15-18-26-62(84)95-71(42(4)23-16-13-14-21-31-73)50(12)59(83)37-53(77)36-58(82)48(10)66(88)47(9)56(80)34-51(75)29-27-40(2)63(85)41(3)28-30-52(76)35-57(81)49(11)67(89)60(33-45(7)65(87)44(6)32-43(5)64(39)86)93-72-70(92)69(91)68(90)61(38-74)94-72/h19,22,28,30,32-33,39-42,44,46-61,63-72,74-83,85-92H,13-18,20-21,23-27,29,31,34-38,73H2,1-12H3
InChIKey BTUZNIQVZBANAX-UHFFFAOYSA-N
SMILES O=C1OC(C(C(O)CC(O)CC(O)C(C(O)C(C(O)CC(O)CCC(C(O)C(C=CC(O)CC(O)C(C(C(C=C(C(C(C=C(C(C(C=CCCC(C(C(CCCCC1)O)C)O)C)O)C)C)O)C)OC2OC(C(O)C(C2O)O)CO)O)C)C)C)C)C)C)C(CCCCCCN)C
ChEBI Ontology
Outgoing Monazomycin (CHEBI:201539) is a macrolide (CHEBI:25106)
IUPAC Name
(13E,17E,21E,29E)-48-(8-aminooctan-2-yl)-8,10,16,20,24,26,28,32,36,38,40,42,44,46-tetradecahydroxy-9,15,17,19,21,25,31,33,39,41,47-undecamethyl-23-[(2S,3S,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-1-oxacyclooctatetraconta-13,17,21,29-tetraen-2-one