CHEBI:189760 - Sphingofungin F

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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 Sphingofungin F
ChEBI ID CHEBI:189760
Stars This entity has been manually annotated by a third party.
Submitter MetaboLights
Supplier Information
Download Molfile XML SDF
Formula C21H39NO6
Net Charge 0
Average Mass 401.544
Monoisotopic Mass 401.27774
InChI InChI=1S/C21H39NO6/c1-3-4-5-10-13-16(23)14-11-8-6-7-9-12-15-17(24)18(25)19(26)21(2,22)20(27)28/h12,15,17-19,24-26H,3-11,13-14,22H2,1-2H3,(H,27,28)/b15-12+/t17-,18+,19-,21-/m0/s1
InChIKey KEACSJIKRANUJC-NZBAJYJFSA-N
SMILES O[C@H]([C@@](N)(C)C(O)=O)[C@H](O)[C@@H](O)/C=C/CCCCCCC(=O)CCCCCC
Metabolite of Species Details
Paecilomyces var.otii (NCBI:txid264951) See: PubMed
Sarcophaga peregrina (NCBI:txid7386) Found in Whole Organism (THESAURUS.OWL#C13413). See: MetaboLights Study
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 Sphingofungin F (CHEBI:189760) is a long-chain fatty acid (CHEBI:15904)
IUPAC Names
(E)-2-amino-3,4,5-trihydroxy-2-methyl-14-oxoicos-6-enoic acid
(E,2S,3R,4R,5S)-2-amino-3,4,5-trihydroxy-2-methyl-14-oxoicos-6-enoic acid
Manual Xrefs Databases
4943886 ChemSpider
9113495 ChemSpider
LMSP01080066 LIPID MAPS
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