CHEBI:217694 - Mathemycin A

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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 Mathemycin A
ChEBI ID CHEBI:217694
Stars This entity has been manually annotated by a third party.
Submitter MetaboLights
Supplier Information
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Formula C71H132N2O24
Net Charge 0
Average Mass 1397.827
Monoisotopic Mass 1396.91700
InChI InChI=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
InChIKey GBOWXIISIICSRF-UHFFFAOYSA-N
SMILES O=C1OC(C(C(OC2OC(C(O)C(C2O)N)C)CC(O)CC(O)C(C(O)CC(O)CC(O)C(C(O)CC(O)CC(O)C(C(C(C=C(C(C(C=C(C(C(C=CCCC(C(CC1)C)O)C)O)C)C)O)C)OC3OC(C(O)C(C3O)O)CO)O)C)C)C)C)C(CC(CCCCCCN)C)C
Metabolite of Species Details
Actinomyces (NCBI:txid1654) See: PubMed
ChEBI Ontology
Outgoing 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