CHEBI:213058 - 6,8-di-O-acetylmalyngamide 2

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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 6,8-di-O-acetylmalyngamide 2
ChEBI ID CHEBI:213058
Stars This entity has been manually annotated by a third party.
Submitter MetaboLights
Supplier Information
Download Molfile XML SDF
Formula C29H46ClNO8
Net Charge 0
Average Mass 572.140
Monoisotopic Mass 571.29120
InChI InChI=1S/C29H46ClNO8/c1-6-7-8-9-11-14-23(37-5)15-12-10-13-16-26(34)31-19-22(18-30)27-28(35)24(38-20(2)32)17-25(29(27,4)36)39-21(3)33/h10,12,18,23-25,27,36H,6-9,11,13-17,19H2,1-5H3,(H,31,34)/b12-10+,22-18-/t23-,24-,25-,27-,29+/m0/s1
InChIKey VCYLDGFZBOWHOI-XZALHDRTSA-N
SMILES Cl/C=C(\[C@H]1C(=O)[C@@H](OC(=O)C)C[C@@H]([C@]1(O)C)OC(=O)C)/CNC(=O)CC/C=C/C[C@@H](OC)CCCCCCC
Metabolite of Species Details
Moorena producens (NCBI:txid1155739) See: PubMed
ChEBI Ontology
Outgoing 6,8-di-O-acetylmalyngamide 2 (CHEBI:213058) is a monoterpenoid (CHEBI:25409)
IUPAC Name
[(1S,3R,4S,5S)-5-acetyloxy-3-[(E)-1-chloro-3-[[(E,7S)-7-methoxytetradec-4-enoyl]amino]prop-1-en-2-yl]-4-hydroxy-4-methyl-2-oxocyclohexyl] acetate
Manual Xref Database
63002542 ChemSpider
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