CHEBI:217051 - Youbetaoufene A1

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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 Youbetaoufene A1
ChEBI ID CHEBI:217051
Stars This entity has been manually annotated by a third party.
Submitter MetaboLights
Supplier Information
Download Molfile XML SDF
Formula C36H40O4
Net Charge 0
Average Mass 536.712
Monoisotopic Mass 536.29266
InChI InChI=1S/C36H40O4/c1-3-5-7-9-11-13-15-19-30-20-17-18-22-33(30)34(28-36(39)40)32-24-23-29(25-26-35(37)38)31(27-32)21-16-14-12-10-8-6-4-2/h3-25,31-32,34H,26-28H2,1-2H3,(H,37,38)(H,39,40)/b5-3+,6-4+,9-7-,10-8-,13-11+,14-12+,19-15-,21-16-,29-25+/t31-,32+,34-/m0/s1
InChIKey PBGNPVWDTRYFBH-GSOXOQHNSA-N
SMILES O=C(O)C/C=C/1\C=C[C@@H]([C@@H](C2=C(C=CC=C2)/C=C\C=C\C=C/C=C/C)CC(=O)O)C[C@@H]1\C=C/C=C/C=C\C=C\C
Metabolite of Species Details
Streptomyces (NCBI:txid1883) 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 Youbetaoufene A1 (CHEBI:217051) is a benzenes (CHEBI:22712)
Youbetaoufene A1 (CHEBI:217051) is a monocarboxylic acid (CHEBI:25384)
IUPAC Name
(3S)-3-[(1S,4E,5R)-4-(2-carboxyethylidene)-5-[(1Z,3E,5Z,7E)-nona-1,3,5,7-tetraenyl]cyclohex-2-en-1-yl]-3-[2-[(1Z,3E,5Z,7E)-nona-1,3,5,7-tetraenyl]phenyl]propanoic acid
Manual Xref Database
81366992 ChemSpider
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