CHEBI:217761 - Neomastoidin A

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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 Neomastoidin A
ChEBI ID CHEBI:217761
Stars This entity has been manually annotated by a third party.
Submitter MetaboLights
Supplier Information
Download Molfile XML SDF
Formula C25H45NO6
Net Charge 0
Average Mass 455.636
Monoisotopic Mass 455.32469
InChI InChI=1S/C25H45NO6/c1-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-24(28)31-20-22(19-27)32-25(29)23(26)21-30-2/h7-8,10-11,22-23,27H,3-6,9,12-21,26H2,1-2H3/b8-7-,11-10-/t22-,23-/m0/s1
InChIKey HSJPSWHAHDWCEF-PJRCMRIWSA-N
SMILES O=C(O[C@H](COC(=O)CCCCCCC/C=C\C/C=C\CCCCC)CO)[C@@H](N)COC
Metabolite of Species Details
Chlorophyllum neomastoideum (NCBI:txid2172931) See: DOI
ChEBI Ontology
Outgoing Neomastoidin A (CHEBI:217761) is a lipid (CHEBI:18059)
IUPAC Name
[(2S)-2-[(2S)-2-amino-3-methoxypropanoyl]oxy-3-hydroxypropyl] (9Z,12Z)-octadeca-9,12-dienoate
Manual Xref Database
28286877 ChemSpider
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