CHEBI:192217 - Malyngamide I

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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 Malyngamide I
ChEBI ID CHEBI:192217
Stars This entity has been manually annotated by a third party.
Submitter MetaboLights
Supplier Information
Download Molfile XML SDF
Formula C26H42ClNO5
Net Charge 0
Average Mass 484.070
Monoisotopic Mass 483.27515
InChI InChI=1S/C26H42ClNO5/c1-5-6-7-8-10-13-21(32-4)14-11-9-12-15-24(30)28(3)18-20(17-27)26-23(33-26)16-22(29)19(2)25(26)31/h9,11,17,19,21-23,29H,5-8,10,12-16,18H2,1-4H3/b11-9+,20-17-/t19-,21-,22-,23+,26+/m0/s1
InChIKey ORRFIXSGNXBETO-WQNYIDMUSA-N
SMILES Cl/C=C(\[C@@]12O[C@@]1(C[C@H](O)[C@@H](C2=O)C)[H])/CN(C)C(=O)CC/C=C/C[C@@H](OC)CCCCCCC
Metabolite of Species Details
Marine plankton environmental sample (NCBI:txid632957) Found in endometabolome (MTBLS:000125). See: MetaboLights Study
ChEBI Ontology
Outgoing Malyngamide I (CHEBI:192217) is a monoterpenoid (CHEBI:25409)
IUPAC Name
(E,7S)-N-[(Z)-3-chloro-2-[(1R,3S,4S,6R)-4-hydroxy-3-methyl-2-oxo-7-oxabicyclo[4.1.0]heptan-1-yl]prop-2-enyl]-7-methoxy-N-methyltetradec-4-enamide
Manual Xref Database
8871558 ChemSpider
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