CHEBI:214481 - Himeic acid 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 Himeic acid A
ChEBI ID CHEBI:214481
Stars This entity has been manually annotated by a third party.
Submitter MetaboLights
Supplier Information
Download Molfile XML SDF
Formula C22H29NO8
Net Charge 0
Average Mass 435.473
Monoisotopic Mass 435.18932
InChI InChI=1S/C22H29NO8/c1-15(22(29)30)12-19(25)23-21(28)17-14-31-16(13-18(17)24)10-8-6-4-2-3-5-7-9-11-20(26)27/h8,10,13-15H,2-7,9,11-12H2,1H3,(H,26,27)(H,29,30)(H,23,25,28)/b10-8+/t15-/m0/s1
InChIKey OKGLROPOZIVCCZ-HQPKTYMTSA-N
SMILES O=C1C(C(=O)NC(=O)C[C@@H](C(=O)O)C)=COC(=C1)/C=C/CCCCCCCCC(=O)O
Metabolite of Species Details
Aspergillusspecies (NCBI:txid5065) 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 Himeic acid A (CHEBI:214481) is a long-chain fatty acid (CHEBI:15904)
IUPAC Name
(E)-11-[5-[[(3S)-3-carboxybutanoyl]carbamoyl]-4-oxopyran-2-yl]undec-10-enoic acid
Manual Xref Database
9949586 ChemSpider
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