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CHEBI:216158 - Sphingofungin C

ChEBI IDCHEBI:216158
ChEBI NameSphingofungin C
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC22H41NO7
Net Charge0
Average Mass431.570
Monoisotopic Mass431.28830
SMILESCCCCCCC(O)CCCCCCC=C[C@H](OC(C)=O)[C@@H](O)[C@H](O)[C@H](N)C(=O)O
InChIInChI=1S/C22H41NO7/c1-3-4-5-10-13-17(25)14-11-8-6-7-9-12-15-18(30-16(2)24)20(26)21(27)19(23)22(28)29/h12,15,17-21,25-27H,3-11,13-14,23H2,1-2H3,(H,28,29)/t17?,18-,19-,20+,21+/m0/s1
InChIKeyPBKBHDLANIOIKK-KXMRHNKVSA-N
Species of MetaboliteComponentSourceComments
Aspergillus (ncbitaxon:5052) - PubMed (1500351)
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 C (CHEBI:216158) is a long-chain fatty acid (CHEBI:15904)
Sphingofungin C (CHEBI:216158) is tautomer of sphingofungin C zwitterion (CHEBI:231808)
Incoming Relation(s)
sphingofungin C zwitterion (CHEBI:231808) is tautomer of Sphingofungin C (CHEBI:216158)
IUPAC Name 
(2S,3R,4S,5S)-5-acetyloxy-2-amino-3,4,14-trihydroxyicos-6-enoic acid