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CHEBI:217694 - Mathemycin A

ChEBI IDCHEBI:217694
ChEBI NameMathemycin A
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SubmitterMetaboLights
DownloadsMolfile
FormulaC71H132N2O24
Net Charge0
Average Mass1397.827
Monoisotopic Mass1396.91700
SMILESCC1=CC(C)C(O)C(C)=CC(OC2OC(CO)C(O)C(O)C2O)C(O)C(C)C(O)CC(O)CC(O)C(C)C(O)CC(O)CC(O)C(C)C(O)CC(O)CC(OC2OC(C)C(O)C(N)C2O)C(C)C(C(C)CC(C)CCCCCCN)OC(=O)CCC(C)C(O)CCC=CC(C)C1O
InChIInChI=1S/C71H132N2O24/c1-35(19-15-13-14-18-24-72)25-41(7)69-45(11)56(94-70-66(90)60(73)64(88)46(12)93-70)33-49(77)32-54(82)43(9)52(80)29-47(75)28-51(79)42(8)53(81)30-48(76)31-55(83)44(10)63(87)57(95-71-68(92)67(91)65(89)58(34-74)96-71)27-40(6)62(86)39(5)26-38(4)61(85)37(3)20-16-17-21-50(78)36(2)22-23-59(84)97-69/h16,20,26-27,35-37,39,41-58,60-71,74-83,85-92H,13-15,17-19,21-25,28-34,72-73H2,1-12H3
InChIKeyGBOWXIISIICSRF-UHFFFAOYSA-N
Species of MetaboliteComponentSourceComments
Actinomyces (ncbitaxon:1654) - PubMed (9711222)
ChEBI Ontology
Outgoing Relation(s)
Mathemycin A (CHEBI:217694) is a aminoglycoside (CHEBI:47779)
IUPAC Name 
38-(4-amino-3,5-dihydroxy-6-methyloxan-2-yl)oxy-40-(10-amino-4-methyldecan-2-yl)-6,12,16,20,22,24,26,28,30,32,34,36-dodecahydroxy-5,11,13,15,17,21,27,33,39-nonamethyl-19-[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-1-oxacyclotetraconta-9,13,17-trien-2-one