CHEBI:187310 - Malyngamide J

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 Malyngamide J
ChEBI ID CHEBI:187310
Stars This entity has been manually annotated by a third party.
Submitter MetaboLights
Supplier Information
Download Molfile XML SDF
Formula C33H53NO9
Net Charge 0
Average Mass 607.785
Monoisotopic Mass 607.37203
InChI InChI=1S/C33H53NO9/c1-7-8-9-10-12-15-24(38-4)16-13-11-14-17-27(35)34-19-18-23(3)33-30(37)22(2)20-25(31(33)43-33)42-32-29(40-6)28(36)26(39-5)21-41-32/h11,13,20,24-26,28-29,31-32,36H,3,7-10,12,14-19,21H2,1-2,4-6H3,(H,34,35)/b13-11+/t24-,25+,26?,28?,29?,31-,32?,33+/m0/s1
InChIKey UZMVEOVJASEKLP-BYPNWZLWSA-N
SMILES O1[C@]2([C@@]1([C@H](OC3OCC(OC)C(O)C3OC)C=C(C2=O)C)[H])C(CCNC(=O)CC/C=C/C[C@@H](OC)CCCCCCC)=C
Metabolite of Species Details
Mus musculus (NCBI:txid10090) Found in feces (BTO:0000440). of strain C57BL/6 Mouse [NCIT:C14424] See: MetaboLights Study
ChEBI Ontology
Outgoing Malyngamide J (CHEBI:187310) is a glycoside (CHEBI:24400)
IUPAC Name
(E,7S)-N-[3-[(1S,5R,6S)-5-(4-hydroxy-3,5-dimethoxyoxan-2-yl)oxy-3-methyl-2-oxo-7-oxabicyclo[4.1.0]hept-3-en-1-yl]but-3-enyl]-7-methoxytetradec-4-enamide
Manual Xref Database
10476944 ChemSpider
View more database links