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CHEBI:187204 - Sphingofungin A

ChEBI IDCHEBI:187204
ChEBI NameSphingofungin A
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC21H41N3O6
Net Charge0
Average Mass431.574
Monoisotopic Mass431.29954
SMILESCCCCCC[C@@H](O)CCCCCC/C=C/[C@H](O)[C@@H](O)[C@H](O)[C@H](N=C(N)N)C(=O)O
InChIInChI=1S/C21H41N3O6/c1-2-3-4-9-12-15(25)13-10-7-5-6-8-11-14-16(26)18(27)19(28)17(20(29)30)24-21(22)23/h11,14-19,25-28H,2-10,12-13H2,1H3,(H,29,30)(H4,22,23,24)/b14-11+/t15-,16+,17+,18-,19-/m1/s1
InChIKeyFFZVMOYYSHXZHW-MXSQXUFFSA-N
Species of MetaboliteComponentSourceComments
Aspergillus (ncbitaxon:5052) - PubMed (1500351)
Mus musculus (ncbitaxon:10090) feces (BTO:0000440) MetaboLights (MTBLS3750) Strain: C57BL/6 Mouse [NCIT:C14424]
Roles Classification
Chemical Role:
Bronsted acid  A molecular entity capable of donating a hydron to an acceptor (Brønsted base).
ChEBI Ontology
Outgoing Relation(s)
Sphingofungin A (CHEBI:187204) is a long-chain fatty acid (CHEBI:15904)
IUPAC Names 
(2R,3R,4R,5S)-2-(diaminomethylideneamino)-3,4,5,14-tetrahydroxyicos-6-enoic acid
(E,2S,3R,4R,5S,14R)-2-(diaminomethylideneamino)-3,4,5,14-tetrahydroxyicos-6-enoic acid
Manual XrefsDatabases
24823240ChemSpider
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