CHEBI:224374 - 30-di-(O-methyl)actamycin25

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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 30-di-(O-methyl)actamycin25
ChEBI ID CHEBI:224374
Stars This entity has been manually annotated by a third party.
Submitter MetaboLights
Supplier Information
Download Molfile XML SDF
Formula C41H49NO10
Net Charge 0
Average Mass 715.840
Monoisotopic Mass 715.33565
InChI InChI=1S/C41H49NO10/c1-21-12-10-9-11-13-24(4)41(51)42-34-38(49)29-19-27(7)37(48)33(32(29)39(50)40(34)52-8)36(47)26(6)18-25(5)35(46)23(3)15-17-28(43)16-14-22(2)31(45)20-30(21)44/h9-15,17-19,21,23,25,28,30,35,43-44,46,48H,16,20H2,1-8H3,(H,42,51)/b11-9-,12-10+,17-15+,22-14+,24-13-,26-18+/t21-,23-,25-,28-,30-,35-/m0/s1
InChIKey AWDFLSTVICEQJQ-AWYKWAPWSA-N
SMILES O=C1NC2=C(OC)C(=O)C=3C(C(=O)C(=C[C@@H]([C@@H](O)[C@H](C=C[C@H](CC=C(C(C[C@@H]([C@H](C=CC=CC=C1C)C)O)=O)C)O)C)C)C)=C(O)C(=CC3C2=O)C
Metabolite of Species Details
Streptomyces (NCBI:txid1883) See: PubMed
ChEBI Ontology
Outgoing 30-di-(O-methyl)actamycin25 (CHEBI:224374) is a naphthoquinone (CHEBI:25481)
IUPAC Name
(7E,9S,10S,11S,12E,14S,16E,20S,21S,22E,24Z,26Z)-4,10,14,20-tetrahydroxy-31-methoxy-3,7,9,11,17,21,27-heptamethyl-29-azatricyclo[28.3.1.05,33]tetratriaconta-1(33),2,4,7,12,16,22,24,26,30-decaene-6,18,28,32,34-pentone