CHEBI:209938 - Mollisinol B

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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 Mollisinol B
ChEBI ID CHEBI:209938
Stars This entity has been manually annotated by a third party.
Submitter MetaboLights
Supplier Information
Download Molfile XML SDF
Formula C18H34O5
Net Charge 0
Average Mass 330.465
Monoisotopic Mass 330.24062
InChI InChI=1S/C18H34O5/c1-2-3-4-5-6-9-12-16(20)17(21)14-15(19)11-8-7-10-13-18(22)23/h6,9,15-17,19-21H,2-5,7-8,10-14H2,1H3,(H,22,23)/b9-6+/t15-,16-,17+/m0/s1
InChIKey COUFLNCTYDKASK-UCMYZZLCSA-N
SMILES O=C(O)CCCCC[C@H](O)C[C@@H](O)[C@@H](O)C/C=C/CCCCC
Metabolite of Species Details
Mollisiaspecies (NCBI:txid1928189) See: DOI
Roles Classification
Chemical Role(s): Bronsted acid
A molecular entity capable of donating a hydron to an acceptor (Bronsted base).
(via oxoacid )
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ChEBI Ontology
Outgoing Mollisinol B (CHEBI:209938) is a long-chain fatty acid (CHEBI:15904)
IUPAC Name
(E,7S,9R,10S)-7,9,10-trihydroxyoctadec-12-enoic acid
Manual Xref Database
78439715 ChemSpider
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