CHEBI:230094 - Annomuricatin 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 Annomuricatin B
ChEBI ID CHEBI:230094
Stars This entity has been manually annotated by a third party.
Submitter MetaboLights
Supplier Information
Download Molfile XML SDF
Formula C35H49N9O9
Net Charge 0
Average Mass 739.831
Monoisotopic Mass 739.36532
InChI InChI=1S/C35H49N9O9/c1-17(2)12-23-31(49)38-16-28(47)43-29(19(4)45)35(53)44-11-7-10-26(44)34(52)42-25(14-27(36)46)32(50)39-18(3)30(48)40-24(33(51)41-23)13-20-15-37-22-9-6-5-8-21(20)22/h5-6,8-9,15,17-19,23-26,29,37,45H,7,10-14,16H2,1-4H3,(H2,36,46)(H,38,49)(H,39,50)(H,40,48)(H,41,51)(H,42,52)(H,43,47)
InChIKey DHPZPVONGOOZPQ-UHFFFAOYSA-N
SMILES O=C1N2C(CCC2)C(=O)NC(CC(=O)N)C(=O)NC(C(=O)NC(CC=3C=4C(NC3)=CC=CC4)C(=O)NC(CC(C)C)C(=O)NCC(=O)NC1C(O)C)C
Metabolite of Species Details
Mus musculus (NCBI:txid10090) Found in feces (BTO:0000440). See: MetaboLights Study
ChEBI Ontology
Outgoing Annomuricatin B (CHEBI:230094) is a organic molecular entity (CHEBI:50860)
IUPAC Name
2-[3-(1-hydroxyethyl)-12-(1H-indol-3-ylmethyl)-15-methyl-9-(2-methylpropyl)-2,5,8,11,14,17,20-heptaoxo-1,4,7,10,13,16,19-heptazabicyclo[19.3.0]tetracosan-18-yl]acetamide
Manual Xref Database
HMDB0303182 HMDB
View more database links