CHEBI:222233 - 3-normeridamycin

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 3-normeridamycin
ChEBI ID CHEBI:222233
Stars This entity has been manually annotated by a third party.
Submitter MetaboLights
Supplier Information
Download Molfile XML SDF
Formula C44H73NO12
Net Charge 0
Average Mass 808.063
Monoisotopic Mass 807.51328
InChI InChI=1S/C44H73NO12/c1-10-32-14-16-39(27(5)20-25(3)31(9)46)56-43(54)35-12-11-17-45(35)42(53)41(52)44(55)29(7)13-15-34(57-44)23-38(50)30(8)37(49)22-33(47)21-36(48)26(4)18-24(2)19-28(6)40(32)51/h14,18,20,24-25,28-31,33-40,46-51,55H,10-13,15-17,19,21-23H2,1-9H3/b26-18+,27-20+,32-14+
InChIKey UNSKIISCJFJWTL-WIDVRGBZSA-N
SMILES O=C1N2C(C(=O)OC(/C(=C/C(C(O)C)C)/C)CC=C(C(O)C(CC(C=C(C(CC(CC(C(C(CC3OC(C1=O)(O)C(CC3)C)O)C)O)O)O)C)C)C)CC)CCC2
Metabolite of Species Details
Streptomyces (NCBI:txid1883) See: PubMed
ChEBI Ontology
Outgoing 3-normeridamycin (CHEBI:222233) is a lactam (CHEBI:24995)
3-normeridamycin (CHEBI:222233) is a macrolide (CHEBI:25106)
IUPAC Name
(13E,19E)-14-ethyl-1,15,21,23,25,27-hexahydroxy-11-[(E)-5-hydroxy-4-methylhex-2-en-2-yl]-16,18,20,26,32-pentamethyl-10,33-dioxa-4-azatricyclo[27.3.1.04,8]tritriaconta-13,19-diene-2,3,9-trione
Manual Xref Database
9495302 ChemSpider
View more database links