psychosine sulfate

Chemical Formula:

C₂₄H₄₇NO₁₀S

Molecular Weight:

541.696 Daltons

Monoisotopic Mass:

542.299892457 Daltons

SMILES:

CCCCCCCCCCCCCC=CC(C([N+])COC1(OC(C(C(O)C(O)1)O)COS(=O)([O-])=O))O

InChI:

1S/C24H47NO10S/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-19(26)18(25)16-33-24-23(29)22(28)21(27)20(35-24)17-34-36(30,31)32/h14-15,18-24,26-29H,2-13,16-17,25H2,1H3,(H,30,31,32)/b15-14+/t18-,19+,20+,21-,22-,23+,24+/m0/s1

InChIKey:

UIEYIJKBVSNMMH-PIIMIWFASA-N

Databases

MetaCyc: CPD-518

MetaboLights: MTBLC58170

HMDB: HMDB13046

ChEBI: 58170

PubChem (CID): 25244621 5280538

KEGG: C02744

RefMet: Psychosine sulfate

Seed: cpd01778

MetaNetX: MNXM7718