CHEBI:224390 - F2928-2

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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 F2928-2
ChEBI ID CHEBI:224390
Stars This entity has been manually annotated by a third party.
Submitter MetaboLights
Supplier Information
Download Molfile XML SDF
Formula C27H36O6
Net Charge 0
Average Mass 456.579
Monoisotopic Mass 456.25119
InChI InChI=1S/C27H36O6/c1-6-17(2)24-26(4,33-24)27(31)18(3)15-20-16-19(25(30)32-5)13-14-21(20)22(27)11-9-7-8-10-12-23(28)29/h7-13,15,17,20-22,24,31H,6,14,16H2,1-5H3,(H,28,29)/b8-7+,11-9+,12-10+/t17?,20-,21-,22+,24+,26-,27+/m1/s1
InChIKey MKFMCRKTWMJGHB-VZTPWLLHSA-N
SMILES O=C(OC)C1=CC[C@H]2[C@H](/C=C/C=C/C=C/C(=O)O)[C@](O)([C@@]3(O[C@H]3C(CC)C)C)C(=C[C@@H]2C1)C
Metabolite of Species Details
Cladobotryumspecies (NCBI:txid2040732) See: PubMed
Roles Classification
Chemical Role(s): Bronsted acid
A molecular entity capable of donating a hydron to an acceptor (Bronsted base).
(via oxoacid )
View more via ChEBI Ontology
ChEBI Ontology
Outgoing F2928-2 (CHEBI:224390) is a medium-chain fatty acid (CHEBI:59554)
IUPAC Name
(2E,4E,6E)-7-[(1S,2R,4aR,8aR)-2-[(2R,3S)-3-butan-2-yl-2-methyloxiran-2-yl]-2-hydroxy-6-methoxycarbonyl-3-methyl-4a,5,8,8a-tetrahydro-1H-naphthalen-1-yl]hepta-2,4,6-trienoic acid
Manual Xref Database
78438284 ChemSpider
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