Summary

IMPPAT Phytochemical identifier: IMPHY002045

Phytochemical name: Phytosphingosine

Synonymous chemical names:
phytosphingosine

External chemical identifiers:
CID:122121, ChEMBL:CHEMBL236036, ChEBI:46961, ZINC:ZINC000008437018, FDASRS:GIN46U9Q2Q, SureChEMBL:SCHEMBL20110, MolPort-003-959-216

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Chemical structure information

SMILES:
CCCCCCCCCCCCCC[C@H]([C@H]([C@H](CO)N)O)O

InChI:
InChI=1S/C18H39NO3/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-17(21)18(22)16(19)15-20/h16-18,20-22H,2-15,19H2,1H3/t16-,17+,18-/m0/s1

InChIKey:
AERBNCYCJBRYDG-KSZLIROESA-N

DeepSMILES:
CCCCCCCCCCCCCC[C@H][C@H][C@H]CO))N))O))O

Functional groups:
CN, CO

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Chemical classification

ClassyFire Kingdom: Organic compounds

ClassyFire Superclass: Organic nitrogen compounds

ClassyFire Class: Organonitrogen compounds

ClassyFire Subclass: Amines

NP Classifier Biosynthetic pathway: Fatty acids

NP Classifier Superclass: Sphingolipids

NP Classifier Class: Sphingoid bases

NP-Likeness score: 1.251

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Chemical structure download