CHEBI:224361 - Carneic acid N

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ChEBI Name Carneic acid N
ChEBI ID CHEBI:224361
Stars This entity has been manually annotated by a third party.
Submitter MetaboLights
Supplier Information
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Formula C23H32O5
Net Charge 0
Average Mass 388.504
Monoisotopic Mass 388.22497
InChI InChI=1S/C23H32O5/c1-14(11-12-28-17(4)24)22-15(2)13-18-9-10-20(25)16(3)23(18)19(22)7-5-6-8-21(26)27/h5-8,11,13,16,18-20,22-23,25H,9-10,12H2,1-4H3,(H,26,27)/b7-5+,8-6+,14-11?/t16-,18-,19+,20+,22+,23+/m0/s1
InChIKey RFRBWUWUBGFXEC-YKKYJGQPSA-N
SMILES O=C(O)/C=C/C=C/[C@@H]1[C@@H](C(=C[C@H]2[C@H]1[C@H]([C@H](O)CC2)C)C)C(=CCOC(=O)C)C
Metabolite of Species Details
Phomopsis (NCBI:txid34399) 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 Carneic acid N (CHEBI:224361) is a medium-chain fatty acid (CHEBI:59554)
IUPAC Name
(2E,4E)-5-[(1S,2S,4aR,7R,8R,8aR)-2-(4-acetyloxybut-2-en-2-yl)-7-hydroxy-3,8-dimethyl-1,2,4a,5,6,7,8,8a-octahydronaphthalen-1-yl]penta-2,4-dienoic acid