CHEBI:212218 - Ergosta-7,22-dien-3beta-yl palmitate

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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 Ergosta-7,22-dien-3beta-yl palmitate
ChEBI ID CHEBI:212218
Stars This entity has been manually annotated by a third party.
Submitter MetaboLights
Supplier Information
Download Molfile XML SDF
Formula C44H76O2
Net Charge 0
Average Mass 637.090
Monoisotopic Mass 636.58453
InChI InChI=1S/C44H76O2/c1-8-9-10-11-12-13-14-15-16-17-18-19-20-21-42(45)46-37-28-30-43(6)36(32-37)24-25-38-40-27-26-39(44(40,7)31-29-41(38)43)35(5)23-22-34(4)33(2)3/h22-23,25,33-37,39-41H,8-21,24,26-32H2,1-7H3/b23-22+/t34-,35+,36?,37-,39+,40?,41?,43-,44+/m0/s1
InChIKey FNQWAQSWCDRWDH-KIPQSSDWSA-N
SMILES O=C(O[C@@H]1CC2[C@](C3C(C4[C@]([C@@H]([C@@H](/C=C/[C@@H](C(C)C)C)C)CC4)(C)CC3)=CC2)(C)CC1)CCCCCCCCCCCCCCC
Metabolite of Species Details
Ganoderma amboinense (NCBI:txid2952274) See: DOI
ChEBI Ontology
Outgoing Ergosta-7,22-dien-3beta-yl palmitate (CHEBI:212218) is a steroid ester (CHEBI:47880)
IUPAC Name
[(3S,10S,13R,17R)-17-[(E,2R,5R)-5,6-dimethylhept-3-en-2-yl]-10,13-dimethyl-2,3,4,5,6,9,11,12,14,15,16,17-dodecahydro-1H-cyclopenta[a]phenanthren-3-yl] hexadecanoate
Manual Xref Database
78445633 ChemSpider
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