sphingofungin B1 zwitterion (CHEBI:231806)

EMBL-EBI | Chemical Biology | ChEBI

Example searches: iron*, InChI=1S/CH4O/c1-2/h2H,1H3, caffeine | Advanced Search

CHEBI:231806 - sphingofungin B₁ zwitterion

Take structure to advanced search

ChEBI ID	CHEBI:231806
ChEBI Name	sphingofungin B₁ zwitterion
Stars
ASCII Name	sphingofungin B1 zwitterion
Definition	Major microspecies at pH 7.3.
Submitter	Anne Morgat
Downloads	Molfile

Formula	C20H39NO5
Net Charge	0
Average Mass	373.534
Monoisotopic Mass	373.28282
SMILES	CCCCCC[C@@H](O)CCCCCC/C=C/[C@H](O)C[C@H](O)[C@H]([NH3+])C(=O)[O-]
InChI	InChI=1S/C20H39NO5/c1-2-3-4-9-12-16(22)13-10-7-5-6-8-11-14-17(23)15-18(24)19(21)20(25)26/h11,14,16-19,22-24H,2-10,12-13,15,21H2,1H3,(H,25,26)/b14-11+/t16-,17+,18+,19+/m1/s1
InChIKey	SBZQHLPRUFVFDF-ZMTHGBDOSA-N

ChEBI Ontology

Outgoing Relation(s)
	sphingofungin B₁ zwitterion (CHEBI:231806) is a long-chain fatty acid anion (CHEBI:57560)
	sphingofungin B₁ zwitterion (CHEBI:231806) is a α-amino-acid zwitterion (CHEBI:78608)

UniProt Name	Source
sphingofungin B₁	UniProt

Manual Xrefs	Databases
CPD-26577	MetaCyc

Citations