CHEBI:216386 - Macrotermycin B

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 Macrotermycin B
ChEBI ID CHEBI:216386
Stars This entity has been manually annotated by a third party.
Submitter MetaboLights
Supplier Information
Download Molfile XML SDF
Formula C26H36N2O6
Net Charge 0
Average Mass 472.582
Monoisotopic Mass 472.25734
InChI InChI=1S/C26H36N2O6/c1-14-5-3-4-6-15-7-8-16-9-10-19(33-25-23(27)24(31)17(29)13-32-25)26(2)22(16)21(15)18(34-26)11-20(30)28-12-14/h3-10,14-19,21-25,29,31H,11-13,27H2,1-2H3,(H,28,30)/b5-3-,6-4+/t14-,15-,16-,17-,18-,19+,21-,22+,23-,24+,25+,26+/m0/s1
InChIKey PMOMCJMPRBACKS-LBACZXMASA-N
SMILES O=C1NC[C@H](C=CC=C[C@@H]2[C@H]3[C@H](C1)O[C@@]4([C@H](O[C@H]5OC[C@H](O)[C@H]([C@@H]5N)O)C=C[C@@H]([C@H]34)C=C2)C)C
Metabolite of Species Details
Amycolatopsisspecies M39 (NCBI:txid1825094) See: PubMed
ChEBI Ontology
Outgoing Macrotermycin B (CHEBI:216386) is a glycoside (CHEBI:24400)
IUPAC Name
(1S,2R,5S,8S,9E,11Z,13S,18S,19R,20R)-2-[(2R,3S,4S,5S)-3-amino-4,5-dihydroxyoxan-2-yl]oxy-1,13-dimethyl-21-oxa-15-azatetracyclo[16.2.1.05,20.08,19]henicosa-3,6,9,11-tetraen-16-one
Manual Xref Database
78439308 ChemSpider
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