Summary

IMPPAT Phytochemical identifier: IMPHY010100

Phytochemical name: N-Stearoylsphingosine

Synonymous chemical names:
ceramide

External chemical identifiers:
CID:5283565, ChEBI:72961, ZINC:ZINC000016051949, SureChEMBL:SCHEMBL760704, MolPort-003-845-719

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Chemical structure information

SMILES:
CCCCCCCCCCCCCCCCCC(=O)N[C@H]([C@@H](/C=C/CCCCCCCCCCCCC)O)CO

InChI:
InChI=1S/C36H71NO3/c1-3-5-7-9-11-13-15-17-18-20-22-24-26-28-30-32-36(40)37-34(33-38)35(39)31-29-27-25-23-21-19-16-14-12-10-8-6-4-2/h29,31,34-35,38-39H,3-28,30,32-33H2,1-2H3,(H,37,40)/b31-29+/t34-,35+/m0/s1

InChIKey:
VODZWWMEJITOND-NXCSZAMKSA-N

DeepSMILES:
CCCCCCCCCCCCCCCCCC=O)N[C@H][C@@H]/C=C/CCCCCCCCCCCCC)))))))))))))))O))CO

Functional groups:
C/C=C/C, CC(=O)NC, CO

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Chemical classification

ClassyFire Kingdom: Organic compounds

ClassyFire Superclass: Lipids and lipid-like molecules

ClassyFire Class: Sphingolipids

ClassyFire Subclass: Ceramides

NP Classifier Biosynthetic pathway: Fatty acids

NP Classifier Superclass: Sphingolipids

NP Classifier Class: Ceramides

NP-Likeness score: 0.773

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Chemical structure download